data_2c52_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 2c52 _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 ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.513 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.77 144.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 128.51 45.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 1.94 7.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m -103.03 -23.18 13.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -72.58 -54.7 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -46.19 -38.59 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 mm-40 -64.45 -32.98 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.3 m-20 -74.06 -32.54 63.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 10.9 tp -63.56 -62.16 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -32.34 69.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 19.6 ttm-85 -76.04 -20.67 57.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 2.8 m -75.37 -51.16 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 2.5 mm? -48.38 -30.76 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.29 -35.01 49.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.7 -174.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.647 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.01 -35.06 3.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.657 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.12 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.641 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.79 -62.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.08 -96.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -60.61 -52.07 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.657 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 1.4 tm0? -29.9 -61.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.526 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -41.26 -48.84 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -73.9 -30.28 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.482 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 20.0 mm-40 -67.12 -52.31 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.575 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.3 m -59.76 -54.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.53 -35.78 76.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 8.3 m-20 -57.45 -68.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -57.67 -55.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.4 mt -44.18 -29.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.5 mttm -83.26 -47.6 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.01 0.63 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' ILE . 19.0 m-80 -158.0 107.95 1.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.513 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -45.17 -36.84 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.521 ' CD1' ' CB ' ' A' ' 37' ' ' ASN . 44.1 mt -67.69 -54.14 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -48.46 -49.21 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.01 -41.31 62.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.62 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 2.4 t80 -54.5 -54.37 41.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -49.41 -42.87 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.87 -40.82 94.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -45.71 81.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.589 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.2 ttt180 -61.14 -47.31 86.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.644 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -72.44 -20.46 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.07 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 5.6 tptt -93.54 -24.95 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.711 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.85 -49.49 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -39.79 -32.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.55 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 37.7 m-20 -61.23 -45.99 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' B' ' 313' ' ' LYS . 6.8 tt0 -39.27 -59.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.459 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.87 -35.29 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -67.82 -33.57 75.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.4 mm? -64.33 -60.98 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' B' ' 313' ' ' LYS . 1.4 pp -61.69 -28.29 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.487 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 34.1 mm-40 -71.51 -28.17 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -73.45 -48.29 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -67.95 -49.07 63.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 2.8 p -58.31 -41.71 81.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 7.4 t -59.15 -47.62 84.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -30.44 71.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.495 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 7.4 mt -64.15 -49.51 71.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -43.93 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.43 50.57 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.415 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.49 115.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 1.7 m-20 -84.19 -25.21 29.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.93 -20.14 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.436 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.3 OUTLIER -51.09 -31.45 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.9 OUTLIER -62.72 -39.22 93.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -47.81 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.43 51.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.17 -21.88 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.36 -52.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.463 ' CB ' ' HE3' ' B' ' 342' ' ' LYS . 15.1 m-20 -68.09 -16.29 63.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.436 ' CG ' HG21 ' B' ' 329' ' ' THR . 1.0 OUTLIER -43.24 -27.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -40.49 -62.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.432 HD11 ' NZ ' ' A' ' 51' ' ' LYS . 4.0 mm? -95.0 -19.31 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.59 -34.79 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.9 pp -127.85 15.14 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.521 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.91 -19.69 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.463 ' HE3' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -75.89 -14.9 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' A' ' 44' ' ' PHE . 4.0 mp -88.96 -47.69 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 1.3 p -67.75 -9.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.522 ' C ' ' O ' ' B' ' 344' ' ' VAL . 44.3 tt0 -28.96 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.594 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -144.38 -92.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.7 OUTLIER 154.94 48.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.1 109.3 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER 55.1 93.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.6 m -34.55 95.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.511 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.2 Cg_endo -75.01 2.0 7.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -132.46 -41.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.02 -53.17 0.55 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.9 t -147.06 86.59 1.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.943 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.623 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OE1' ' A' ' 39' ' ' GLN . 37.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.506 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 176.41 144.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.05 135.9 87.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.07 4.18 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -101.55 -23.4 14.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -72.34 -56.42 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -46.23 -40.62 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' N ' HD23 ' A' ' 11' ' ' LEU . 3.6 mt-30 -63.98 -34.92 79.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ALA . 28.8 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 44' ' ' PHE . 3.2 tp -66.09 -69.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -51.06 -39.15 55.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -62.51 -31.22 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' B' ' 323' ' ' LEU . 5.3 mt -72.53 -29.25 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' B' ' 322' ' ' PHE . 31.8 mmtt -53.08 -25.7 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.648 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.39 -173.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 -36.59 2.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.651 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.8 m 87.68 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.606 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 157.33 -61.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -98.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -61.92 -49.69 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.651 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.5 tm0? -30.75 -60.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.576 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -41.65 -51.07 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.576 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.85 -25.92 61.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 2.3 mm100 -67.96 -52.42 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -58.38 -51.63 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.14 -40.18 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -53.85 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -55.34 -53.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.29 -28.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 33' ' ' ILE . 15.3 mttm -87.4 -35.98 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' ILE . 73.0 m -85.67 1.85 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -163.41 105.01 0.97 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.67 -32.29 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' CG2' ' A' ' 6' ' ' ILE . 4.2 mm? -77.43 -49.7 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.93 -52.29 25.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.68 -41.85 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.9 -60.59 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CD2' HD12 ' A' ' 14' ' ' LEU . 2.8 t80 -57.42 -55.49 34.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -47.05 -34.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -74.57 -34.97 63.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.58 -45.28 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -70.44 -38.77 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.594 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.8 t -76.27 -20.76 57.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -9.86 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.1 tppm? -89.02 -25.32 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.671 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.51 -51.49 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.05 -32.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.08 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.6 m-20 -63.27 -45.24 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -56.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.448 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.29 -35.56 79.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.64 -34.21 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' B' ' 311' ' ' ASP . 3.9 mm? -64.77 -61.71 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.596 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.6 OUTLIER -59.0 -31.63 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.43 -33.13 74.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -67.17 -46.57 73.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.35 -35.53 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 32.2 t -62.06 -54.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -45.69 90.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.461 ' CE2' ' NZ ' ' B' ' 326' ' ' LYS . 4.2 t80 -57.98 -32.04 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 18' ' ' LEU . 6.7 mt -72.54 -44.51 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -40.04 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -102.51 43.53 1.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.461 ' NZ ' ' CE2' ' B' ' 322' ' ' PHE . 0.7 OUTLIER -41.25 121.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 2.2 m-20 -73.87 -43.88 57.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.437 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.9 OUTLIER -46.6 -24.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.484 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 15.7 m -54.78 -47.79 73.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.2 OUTLIER -54.19 -29.77 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 -51.65 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.12 53.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 8.1 pt-20 -47.31 -22.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -77.88 -52.42 8.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -71.02 -15.69 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.484 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.4 OUTLIER -37.88 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.58 -51.06 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 37.0 mt -107.67 -14.24 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.431 ' O ' ' NZ ' ' B' ' 342' ' ' LYS . . . 73.87 -54.92 2.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.8 pp -96.7 19.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.464 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.3 OUTLIER -52.73 -27.35 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.475 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -70.59 -25.47 63.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 340' ' ' ILE . 2.5 mm? -77.91 -51.64 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 2.9 p -67.68 -11.96 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 344' ' ' VAL . 2.1 tt0 -34.66 -43.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' B' ' 353' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' B' ' 353' ' ' SER . 0.1 OUTLIER 39.75 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 155.36 -47.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.0 126.48 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.71 75.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 2.7 m -43.11 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.482 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.0 3.62 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.517 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 22.5 ttt-85 -125.44 -46.17 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 163.98 -62.88 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.46 -53.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -170.58 159.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.0 m -63.68 138.07 97.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.0 Cg_endo -75.07 -65.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' GLN . 3.4 m -37.19 -39.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.4 -29.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -66.18 -50.75 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -60.12 -30.47 69.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -73.26 -43.86 60.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 3.9 tt -59.78 -59.73 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -30.22 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 6.0 ttt180 -75.16 -21.38 58.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 29' ' ' GLN . 13.7 m -76.59 -52.87 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.537 HD22 ' CD2' ' A' ' 14' ' ' LEU . 2.4 mm? -47.88 -26.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mptp? -55.95 -36.96 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.589 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.27 -177.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -38.52 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 m 91.59 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.592 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.12 -60.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -102.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.94 -49.58 75.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 4.0 tm0? -32.99 -60.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.37 -48.83 3.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.78 -27.96 61.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mm100 -68.87 -51.55 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.558 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.07 -53.18 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.42 -32.29 73.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -59.21 -66.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -42.29 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -57.26 -27.14 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 9.6 mtmt -90.65 -36.55 14.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -73.87 -12.75 60.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 12.2 m-80 -153.34 105.99 2.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.2 tp-100 -58.06 -34.31 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.7 tm? -72.26 -48.97 38.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.556 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -56.08 -23.72 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.563 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.98 -40.26 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' B' ' 320' ' ' VAL . . . -67.59 -54.79 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CE1' HD22 ' B' ' 343' ' ' LEU . 2.5 t80 -56.14 -55.91 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.468 HD12 ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -49.05 -35.82 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -75.78 -33.22 60.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CB ' HD11 ' B' ' 323' ' ' LEU . 2.7 mm-40 -72.52 -46.69 53.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.6 -37.67 79.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -78.99 -21.57 46.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.18 -9.16 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tppt? -89.7 -26.21 20.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.37 -52.89 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.27 -31.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -75.23 -57.12 4.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.4 m-20 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.3 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.1 tt0 -38.04 -56.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.413 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.29 -36.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.84 -32.35 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 10.9 mp -65.44 -62.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.557 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.33 -30.51 66.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.42 -34.98 76.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.66 -49.73 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -73.08 -42.48 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 21.1 t -53.23 -54.27 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.99 77.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -58.41 -31.51 67.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.559 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 4.6 mt -69.05 -45.79 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -53.37 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.79 49.25 3.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.559 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.0 OUTLIER -41.5 126.51 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 -35.5 43.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -47.3 -28.85 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.467 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.53 -32.38 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -58.34 -53.92 52.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 13.4 tp -78.66 -42.44 28.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -79.63 51.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 5.8 pt-20 -56.59 -21.71 28.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -83.43 -45.45 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' B' ' 337' ' ' ALA . 1.4 m-20 -72.44 -15.15 61.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' B' ' 329' ' ' THR . 0.0 OUTLIER -41.43 -27.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -37.77 -61.14 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.404 HD11 ' OD1' ' B' ' 341' ' ' ASP . 5.8 mp -96.96 -18.98 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.88 -45.81 3.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.506 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 2.0 pp -109.91 23.1 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.436 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.7 OUTLIER -52.48 -33.01 42.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.898 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -64.36 -21.07 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -81.37 -45.97 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' B' ' 345' ' ' GLN . 2.8 p -79.65 -4.55 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.531 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.9 tt0 -35.13 -46.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -48.7 -23.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.439 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.9 OUTLIER 54.72 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -53.31 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.3 mp -124.44 47.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.9 m 29.12 92.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.413 ' HB3' ' OD2' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -75.04 3.61 5.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.531 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -127.89 -67.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 152.01 71.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.9 t 85.46 78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.4 144.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m -68.48 149.91 97.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.555 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -67.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.5 m -33.79 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -59.48 -58.43 8.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.755 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.94 -31.28 28.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.525 ' N ' HD12 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.24 -33.05 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.02 -33.25 61.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD21 ' CD2' ' B' ' 319' ' ' LEU . 8.4 tt -66.09 -65.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.06 -34.09 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 18.4 ttt180 -73.5 -28.47 61.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.491 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -68.33 -46.16 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.519 ' CD2' HD22 ' A' ' 14' ' ' LEU . 3.4 mm? -53.94 -19.82 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 16.2 mmtm -63.34 -35.23 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.32 -178.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -34.8 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.8 p 89.49 84.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.6 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.99 -61.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.987 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.92 -102.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.6 mm-40 -61.14 -50.97 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.536 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.8 tm0? -32.59 -60.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.522 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -42.31 -48.2 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.522 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -73.25 -27.19 61.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' CB ' HG22 ' A' ' 17' ' ' THR . 7.3 mt-30 -68.5 -52.25 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.94 -52.0 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -32.23 73.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -60.18 -61.8 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -64.35 -62.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -38.39 -33.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 13.3 mttm -66.58 -53.43 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.2 m -94.18 16.82 13.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 40' ' ' LEU . 9.5 m-80 -134.58 87.25 32.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -50.02 -21.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -82.86 -46.47 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 13.6 ttt -59.18 -26.91 65.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.59 -42.21 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -60.94 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLN . 1.2 t80 -53.49 -57.54 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.464 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -46.65 -37.22 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.4 mmpt? -72.59 -34.07 67.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -70.34 -46.82 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 ptm180 -69.5 -44.47 71.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.604 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.4 t -71.78 -23.0 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -63.04 -9.86 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 9.7 tppt? -90.23 -25.89 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.66 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.46 -52.44 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.32 -33.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -65.19 -55.57 17.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 4.4 m-20 -68.46 -37.36 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.6 pp0? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.535 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -38.86 -53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.327 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -62.49 -33.79 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -73.61 -27.3 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 311' ' ' ASP . 11.0 mp -65.88 -61.39 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.557 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -63.73 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.4 mm-40 -63.76 -37.79 88.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.26 -50.0 69.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.523 ' CD2' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.13 -33.72 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 25.3 t -64.05 -54.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -43.15 71.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -66.75 -32.37 73.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' B' ' 319' ' ' LEU . 7.0 mt -68.97 -45.22 71.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -54.1 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.68 53.77 4.57 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.415 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 1.2 tppp? -45.69 117.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.98 56.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.413 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 15.5 tp10 -50.41 -31.73 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.484 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 29.0 m -54.98 -29.92 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -56.37 -53.6 55.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.72 -50.11 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.31 52.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.87 -23.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' B' ' 332' ' ' ALA . 1.8 tm? -77.32 -52.14 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 337' ' ' ALA . 0.6 OUTLIER -65.23 -16.47 63.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.484 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -44.4 -26.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -39.64 -61.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -94.7 -17.31 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 80.81 -49.88 4.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.9 pp -108.07 20.05 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.454 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.08 -27.75 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -71.91 -20.22 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 340' ' ' ILE . 2.6 mm? -84.83 -47.84 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 5.8 p -73.75 -3.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.497 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -40.11 -42.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.44 ' HA3' HG12 ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.44 HG12 ' HA3' ' B' ' 346' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.86 -3.58 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.42 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.1 OUTLIER 64.04 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -38.88 155.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.4 mt 41.39 63.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.2 m -37.53 98.25 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.45 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.97 4.93 4.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.497 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 40.0 ttt180 -121.94 -45.88 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 146.88 -36.22 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.8 t -169.49 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -176.51 154.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 m -60.43 140.57 91.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.52 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -53.66 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -38.42 -40.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -42.97 -31.1 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -62.28 -47.32 84.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.505 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.0 -32.66 73.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.54 -34.26 62.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' CD1' ' HG ' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -69.1 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.585 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.2 OUTLIER -51.86 -36.48 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -71.91 -35.9 69.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 m -59.32 -37.97 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' CD1' ' CD2' ' B' ' 319' ' ' LEU . 2.3 mt -72.05 -30.92 65.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' CD ' HD23 ' A' ' 15' ' ' LEU . 2.3 mptp? -51.68 -23.83 4.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.601 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -62.6 -176.76 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.07 -34.92 3.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.566 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.0 t 89.15 84.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.61 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.98 -101.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.43 1.753 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' GLN . 15.6 mt-30 -60.78 -50.72 72.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.566 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.01 -59.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -42.31 -50.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -72.26 -26.02 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.9 mt-30 -69.83 -52.53 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -58.58 -51.6 69.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.4 -31.7 72.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.3 m-20 -61.76 -68.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.41 -46.96 78.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.447 HD12 HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -53.68 -28.46 33.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -89.53 -50.48 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 24.1 m -74.39 0.56 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.2 m-80 -157.34 108.05 1.86 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -50.43 -40.11 49.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 6' ' ' ILE . 3.4 mm? -60.73 -53.53 56.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -50.98 -42.92 60.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.589 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.7 -48.93 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.7 t80 -54.54 -58.86 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.582 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.51 -38.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.2 mmpt? -66.28 -39.6 89.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' PHE . 15.3 mm-40 -67.55 -43.96 79.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.583 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -65.19 -44.7 87.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.642 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -68.79 -27.16 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -11.56 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.616 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -89.7 -28.59 19.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.699 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.76 -46.62 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -52.58 -26.4 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.37 22.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 87.9 m-20 -149.92 -48.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 4.9 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 32.5 tt0 -57.1 -52.37 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.457 ' HE3' ' HB1' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.82 -33.82 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -64.0 -38.06 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -62.61 -60.51 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.57 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -56.97 -28.93 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.25 -36.55 79.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.431 ' NE2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -62.34 -48.76 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.56 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.09 -41.31 67.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 25.3 t -56.47 -53.72 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -51.87 65.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.585 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -56.89 -31.89 65.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 18' ' ' LEU . 5.4 mt -67.28 -44.49 79.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -54.16 36.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.69 45.7 2.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.423 ' NZ ' HD23 ' B' ' 343' ' ' LEU . 4.3 tppp? -41.93 125.66 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -39.39 71.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.16 -23.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 32.4 m -66.37 -28.19 68.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.58 -38.01 80.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.79 -50.38 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.28 51.74 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -47.6 -23.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -52.32 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' B' ' 337' ' ' ALA . 4.6 m-20 -68.33 -16.03 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 66.8 ttt-85 -39.53 -28.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -48.0 -48.17 32.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 338' ' ' LEU . 0.9 OUTLIER -88.55 -30.61 19.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.475 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 72.65 -4.02 23.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.494 ' HB ' ' CD1' ' B' ' 343' ' ' LEU . 2.4 pp -156.41 21.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -54.98 -19.4 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -25.91 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.494 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 10.1 mt -84.04 -32.03 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.62 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -76.1 -14.92 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -30.91 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 32.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -123.1 -38.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 92.92 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.41 -70.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' B' ' 357' ' ' PRO . 13.5 mt -98.2 70.14 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.4 m -35.8 97.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.48 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.01 1.74 7.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.81 -42.64 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 116.26 78.22 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.501 ' O ' ' OG ' ' B' ' 360' ' ' SER . 4.4 p 83.08 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.568 ' CG1' ' HB2' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 173.92 140.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.7 m -67.72 148.42 98.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.521 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 9.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -101.63 -10.36 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.35 -63.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.84 -31.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.494 ' N ' HD21 ' A' ' 11' ' ' LEU . 5.0 mt-30 -75.35 -41.17 57.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -68.43 -68.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.75 -33.12 21.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 7.6 ttm180 -75.62 -28.7 58.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -68.25 -40.29 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' B' ' 323' ' ' LEU . 2.9 mm? -63.38 -30.89 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -51.27 -34.14 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.623 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.5 -175.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -35.39 3.16 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.779 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.621 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.1 m 88.74 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.634 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.23 -62.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.99 -95.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 31.1 mt-30 -59.67 -52.69 64.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.621 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.9 OUTLIER -30.16 -60.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -41.65 -49.57 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.542 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -73.28 -27.63 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.517 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 5.4 mm-40 -69.57 -53.82 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.558 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.02 -52.84 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.11 -69.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.765 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.86 -60.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -39.0 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 mtmp? -86.61 -53.36 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.8 m -77.11 -0.38 24.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 33' ' ' ILE . 7.1 m120 -142.65 98.91 5.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -29.06 8.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -77.71 -45.5 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 37' ' ' ASN . 3.8 mm? -60.87 -50.85 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.502 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 ptt? -48.52 -41.84 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -61.39 -46.44 90.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.97 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 2.6 t80 -58.65 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.1 -37.87 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.6 mmpt? -66.58 -40.67 89.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' B' ' 323' ' ' LEU . 0.9 OUTLIER -74.98 -23.81 58.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.519 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.24 -33.79 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t -87.67 -15.37 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -9.46 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -88.93 -25.24 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -109.01 -51.82 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.99 -32.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 1.2 m-20 -63.25 -46.61 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.1 pp0? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 22.9 tt0 -40.0 -55.14 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -61.27 -33.07 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -72.29 -30.44 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -65.2 -62.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.568 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 3.7 mm-40 -65.53 -34.88 79.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -66.1 -47.88 72.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.464 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -72.09 -33.88 68.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 32.4 t -64.07 -54.39 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -38.26 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -70.97 -31.7 68.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 18' ' ' LEU . 5.2 mt -70.45 -44.31 68.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -50.16 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.44 52.0 2.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.409 ' NZ ' HD22 ' B' ' 343' ' ' LEU . 2.6 tppp? -41.0 118.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.94 83.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.5 -30.76 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 55.1 m -51.37 -38.1 51.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.66 -46.59 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.1 tt -74.3 -44.76 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.46 51.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.0 -23.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -47.81 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 30.3 m-20 -70.33 -14.97 62.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.8 OUTLIER -34.46 -36.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.58 -62.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' B' ' 338' ' ' LEU . 1.2 mm? -99.23 -16.32 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.47 ' O ' ' CE ' ' B' ' 342' ' ' LYS . . . 69.33 -52.03 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.445 ' O ' HD11 ' B' ' 340' ' ' ILE . 2.5 pp -97.76 20.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.486 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 3.0 t0 -52.53 -19.19 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' B' ' 339' ' ' GLY . 0.2 OUTLIER -77.18 -27.77 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.409 HD22 ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mm? -78.38 -45.76 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 7.4 p -73.25 -4.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 3.6 tt0 -41.4 -46.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' B' ' 346' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.86 52.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.419 ' C ' ' O ' ' B' ' 352' ' ' LEU . 20.6 m 37.4 -99.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER 42.24 -162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER -41.32 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.5 m -35.23 96.49 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.487 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.2 Cg_endo -75.09 4.08 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.492 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 5.6 ttp85 -123.89 -41.67 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 139.67 -42.41 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 6.1 t -158.93 88.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -173.42 148.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -70.25 140.84 88.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -18.79 18.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -82.76 -39.91 21.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . -51.09 -60.66 2.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -42.54 -53.19 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' N ' HD11 ' A' ' 11' ' ' LEU . 26.7 mt-30 -55.5 -44.91 77.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 2.3 m-20 -59.74 -32.71 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD2' ' HG ' ' B' ' 319' ' ' LEU . 7.0 tt -69.16 -59.46 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' CD1' ' B' ' 322' ' ' PHE . 1.5 tm? -53.39 -39.04 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.19 -24.95 57.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.07 -31.31 65.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' B' ' 323' ' ' LEU . 3.8 mt -75.75 -23.41 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.49 -21.51 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.628 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -58.6 -175.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -34.23 4.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.565 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.0 t 86.82 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.626 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.02 -62.16 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.3 mt-30 -60.66 -51.94 67.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.565 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 9.2 tm0? -30.77 -60.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -43.72 -50.73 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.2 mt-30 -71.61 -24.02 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 4.8 mt-30 -70.21 -50.62 38.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.533 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.39 -51.5 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.533 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -64.33 -33.3 75.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.5 m-20 -58.65 -59.32 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -67.54 -60.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -35.69 -34.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.8 mttm -64.74 -53.51 46.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' ILE . 43.1 m -100.58 23.69 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.636 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.6 m-80 -128.53 90.09 47.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 6' ' ' ILE . 18.5 Cg_endo -74.98 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.443 ' CB ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -70.96 -19.85 62.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -85.07 -55.23 4.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.562 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -49.13 -49.09 43.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.38 -41.69 66.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.19 -60.59 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.59 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 2.4 t80 -54.98 -56.27 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -46.38 -43.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.44 -33.54 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.6 mm100 -68.63 -39.02 80.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.59 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.14 -46.23 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 t -67.33 -26.76 66.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.77 -11.26 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -89.87 -26.46 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.69 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.12 -36.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -62.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.9 m-80 -62.31 -51.63 66.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.549 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.8 OUTLIER -38.49 -56.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.472 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.1 -31.79 73.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -69.3 -33.21 72.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.4 mm? -64.82 -61.65 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.559 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 1.6 pp -59.47 -31.73 69.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -68.24 -32.78 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.422 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 1.8 tt0 -66.82 -44.48 81.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.45 -39.84 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.559 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 41.9 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.86 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.685 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -57.88 -29.64 65.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 18' ' ' LEU . 5.8 mt -71.01 -46.24 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.13 -52.41 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.21 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.093 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.685 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 7.1 tppt? -45.57 129.26 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -24.64 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.15 -25.6 33.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -41.09 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.77 -64.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.42 -45.96 90.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.41 50.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 7.9 pt-20 -54.79 -22.15 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -37.23 24.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 337' ' ' ALA . 9.4 m-20 -76.49 -16.25 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' B' ' 333' ' ' GLU . 1.5 mtm180 -39.15 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.02 -53.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.457 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 3.8 mm? -110.2 -10.2 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.36 -53.85 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' B' ' 343' ' ' LEU . 2.4 pp -114.66 21.46 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 1.1 t0 -46.94 -41.84 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -52.62 -32.78 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.54 -27.74 45.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.61 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 2.2 t -85.35 -10.04 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 12.4 pt20 -36.45 -43.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 19.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.565 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -132.75 25.78 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.438 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.5 t 36.6 39.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.19 144.0 29.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER 40.1 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' B' ' 359' ' ' GLY . 5.1 m -37.21 97.75 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.469 ' HB2' ' N ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -75.03 -10.85 21.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.519 ' CG ' ' HB2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -111.13 -31.41 7.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.477 ' O ' ' CG2' ' B' ' 356' ' ' VAL . . . 147.21 -70.52 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.445 ' C ' ' CD2' ' B' ' 361' ' ' LEU . 1.4 t -119.85 -64.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.49 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER 171.72 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.444 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 69.6 m -92.94 136.41 24.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -89.27 -35.84 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' OD1' ' A' ' 37' ' ' ASN . . . -53.19 -57.56 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -39.15 -49.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -45.57 77.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.3 m-20 -67.2 -28.61 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -62.28 -72.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -32.77 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -72.24 -24.37 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -78.46 -41.83 31.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' CE2' ' A' ' 44' ' ' PHE . 3.2 mm? -62.16 -18.33 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' SER . 32.1 mttt -65.61 -34.38 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.57 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.97 -177.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.98 -34.58 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.757 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.548 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.35 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 164.15 -61.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -104.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' GLN . 11.5 mt-30 -59.69 -48.84 80.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.548 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -33.32 -59.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.4 pt20 -42.67 -48.77 5.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.1 mt-30 -73.64 -26.04 60.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' CB ' HG22 ' A' ' 17' ' ' THR . 6.6 mt-30 -71.4 -53.03 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.528 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.3 m -56.69 -50.45 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.55 -30.97 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.6 m-20 -60.67 -51.32 69.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.53 -41.02 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -60.36 -29.7 69.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.7 ptpt -88.11 -33.2 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -88.82 -1.66 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.9 m-80 -155.41 108.64 2.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' HB3' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.87 -39.96 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD2' HG23 ' A' ' 6' ' ' ILE . 4.5 mm? -65.98 -50.31 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.524 ' HA ' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -50.95 -38.56 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.7 -45.27 73.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.94 -57.02 6.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CE2' HD13 ' A' ' 18' ' ' LEU . 5.3 t80 -54.57 -55.54 28.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -50.48 -39.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.94 -15.97 60.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.1 ttm180 -91.75 -26.56 18.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 11.3 t -95.61 -15.66 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.4 -13.86 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 6.7 tmtt? -87.55 -27.74 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.78 -45.67 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -54.37 -16.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -106.45 24.2 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.573 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 29.8 p30 -164.55 21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 12.8 pt20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.3 tt0 -39.16 -54.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.452 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.93 -34.6 77.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -70.36 -31.95 69.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.3 mm? -64.24 -61.15 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.567 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -58.97 -31.96 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 11.3 mm-40 -68.92 -31.75 70.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -67.17 -46.93 72.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -76.3 -31.21 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 8.8 t -65.16 -55.86 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -42.82 99.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.4 OUTLIER -62.1 -31.59 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.496 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 4.7 mt -71.72 -42.23 67.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.07 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.58 53.25 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 0.6 OUTLIER -42.68 113.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 7.3 m-20 -77.48 -26.31 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 7.5 tp10 -55.25 -18.57 6.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -37.85 72.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -54.75 -34.26 62.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -90.44 -54.49 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -79.77 53.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.22 -22.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.98 -52.45 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' B' ' 337' ' ' ALA . 45.0 m-20 -68.99 -16.87 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.26 -56.34 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.543 ' CD1' ' CE ' ' A' ' 51' ' ' LYS . 13.0 mt -109.07 -9.65 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.43 -59.23 3.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.559 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.4 pp -92.06 9.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' B' ' 357' ' ' PRO . 0.5 OUTLIER -53.84 -19.68 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -82.12 -18.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.3 OUTLIER -85.27 -45.75 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.525 ' O ' ' CG1' ' B' ' 351' ' ' VAL . 3.5 p -71.68 -7.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -30.14 -47.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -133.22 3.61 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.452 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.5 OUTLIER 61.92 -71.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.7 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.1 mm? 44.46 65.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.4 m -37.25 97.69 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.455 ' HB3' ' OD1' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -74.96 5.51 3.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.502 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 1.3 tmt_? -134.64 -67.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.18 66.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 89.78 76.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER 78.37 170.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 6' ' ' ILE . 11.1 m -92.65 135.71 26.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 4.01 5.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -102.67 -11.36 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -76.88 -57.15 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.639 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -44.13 -28.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.639 ' N ' HD21 ' A' ' 11' ' ' LEU . 27.2 mt-30 -71.41 -39.85 70.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . 57.9 m-20 -73.8 -27.95 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -64.97 -68.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -33.1 62.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.5 ttm180 -74.18 -24.93 59.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -72.57 -39.07 67.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.3 mm? -64.64 -27.89 69.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.8 mptm? -53.65 -36.46 62.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.49 -178.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -33.32 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.591 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 t 87.98 83.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.598 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.94 -61.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.99 -100.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' GLN . 5.0 mt-30 -61.58 -51.34 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.591 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -31.69 -60.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -42.01 -49.98 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.73 -26.21 61.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' GLN . 8.0 mt-30 -68.96 -51.06 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.55 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.42 -52.6 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.55 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.91 -35.94 77.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.9 m-20 -58.83 -69.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.42 -56.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -91.1 -44.59 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -74.92 2.41 10.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.3 m-80 -163.56 114.26 1.01 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.48 -43.94 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD12 ' CA ' ' A' ' 11' ' ' LEU . 4.1 mm? -57.29 -51.74 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' ILE . 9.9 ttt -50.31 -42.97 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.7 -37.95 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -61.14 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' B' ' 343' ' ' LEU . 3.4 t80 -60.27 -56.58 19.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.78 -48.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -59.88 -43.17 94.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' NE2' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -59.55 -47.09 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' B' ' 343' ' ' LEU . 0.2 OUTLIER -62.67 -49.64 74.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -68.44 -19.74 64.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.16 -9.16 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 15.0 tppt? -93.16 -23.82 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.674 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.44 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -38.78 -31.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.89 -57.61 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.0 m-20 -62.9 -51.56 66.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 3.2 pt-20 -35.35 -61.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.1 OUTLIER -59.5 -40.47 87.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -59.12 -40.45 85.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.506 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.04 -48.67 80.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.587 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -67.91 -36.99 81.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' B' ' 321' ' ' SER . 2.8 mm-40 -55.91 -36.34 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -71.63 -49.82 36.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.21 -58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 4.1 m -48.91 -38.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.9 t -63.06 -55.21 27.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -31.12 71.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.1 mt -68.67 -44.02 74.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -49.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.18 49.36 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.434 ' NZ ' HD13 ' B' ' 343' ' ' LEU . 3.4 tppp? -41.21 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -27.86 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -24.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.38 -27.22 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.77 -47.48 86.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -53.12 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.413 ' CB ' ' OD1' ' B' ' 335' ' ' ASP . . . -80.19 51.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -48.98 -22.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -52.12 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' B' ' 337' ' ' ALA . 35.6 m-20 -65.28 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -30.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.26 -61.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.42 -12.75 19.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.5 -52.77 3.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.8 pp -106.6 19.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.489 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -56.89 -17.44 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -5.27 57.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 44' ' ' PHE . 3.5 mp -99.8 -40.71 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' B' ' 351' ' ' VAL . 1.4 p -74.56 -3.65 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' B' ' 344' ' ' VAL . 3.5 pt20 -35.65 -34.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 1.2 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.55 -12.63 16.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.412 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 13.7 t -44.3 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -48.76 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.47 ' O ' ' CG1' ' B' ' 356' ' ' VAL . 6.1 mp -82.17 -102.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' B' ' 359' ' ' GLY . 5.8 m -159.57 104.83 1.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.412 ' HG3' ' CB ' ' B' ' 353' ' ' SER . 18.4 Cg_endo -75.01 3.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.564 1.823 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.522 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 7.1 ttt180 -126.31 -46.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' B' ' 356' ' ' VAL . . . 164.92 -64.02 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.63 -51.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.522 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -167.91 168.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -89.43 132.22 37.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.03 3.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 m -102.11 -19.37 15.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -75.27 -54.91 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -46.12 -40.12 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.458 ' N ' HD23 ' A' ' 11' ' ' LEU . 5.3 mt-30 -62.92 -35.2 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.8 m-20 -72.41 -32.32 66.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' CD2' ' HG ' ' B' ' 319' ' ' LEU . 19.1 tp -64.12 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.8 33.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.3 ttm180 -74.95 -24.95 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.506 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -74.53 -51.22 15.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.0 mm? -48.75 -31.26 6.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.6 mptp? -53.07 -33.27 51.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.626 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.5 -174.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.626 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.95 -37.0 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.654 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 88.84 84.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.62 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.67 -62.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -97.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.1 tt0 -60.55 -50.71 72.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.654 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.3 tm0? -31.18 -61.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -41.72 -49.75 4.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.0 mt-30 -72.87 -26.0 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 2.6 mm100 -69.94 -51.3 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -59.66 -52.24 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.07 -35.05 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.4 m-20 -58.07 -66.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -59.01 -58.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -41.41 -30.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 33' ' ' ILE . 12.0 mttm -84.28 -46.53 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.459 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -75.43 -0.17 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 12.6 m-80 -159.69 109.9 1.47 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -45.08 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 14' ' ' LEU . 2.8 tm? -55.93 -49.88 72.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 45' ' ' ILE . 14.5 ttt -56.76 -41.92 78.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.23 -46.53 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -61.88 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.528 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 3.2 t80 -53.79 -57.55 10.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -46.85 -39.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.5 mmpt? -66.48 -34.66 78.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 tm0? -68.57 -45.16 72.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.558 ' NE ' ' HA ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -64.29 -40.61 96.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.644 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.5 t -74.0 -22.48 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -12.36 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.9 tppt? -87.17 -24.47 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -108.31 -52.9 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.54 -30.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.65 -53.29 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -66.09 -40.76 91.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' B' ' 314' ' ' ALA . 4.1 m-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.526 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 1.6 tt0 -39.94 -55.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.1 OUTLIER -60.78 -33.97 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -71.19 -29.98 65.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mm? -65.9 -61.02 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -63.36 -26.72 68.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -71.44 -32.06 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -70.94 -51.3 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.577 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -65.13 -51.46 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.514 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 3.4 p -59.15 -37.07 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 2.1 m -57.92 -51.13 70.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -30.95 71.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.518 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 11.1 mt -61.78 -46.42 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -46.52 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.14 50.56 1.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.421 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 0.8 OUTLIER -41.66 118.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.32 -31.16 43.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -46.43 -35.98 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 1.3 m -50.4 -29.0 9.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.47 -56.04 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -30.17 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.67 49.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 9.7 pt-20 -55.07 -21.54 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.29 -39.38 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' B' ' 337' ' ' ALA . 4.5 m-20 -78.76 -17.05 56.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 2.0 mtt180 -38.24 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.2 -62.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.421 ' CD1' ' HD2' ' A' ' 51' ' ' LYS . 1.5 mm? -99.32 -15.9 18.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.7 -48.47 3.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.479 ' HB ' ' NH2' ' A' ' 48' ' ' ARG . 2.2 pp -113.98 15.48 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.46 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -53.68 -21.91 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -14.56 61.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.16 -45.92 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' B' ' 345' ' ' GLN . 2.2 p -74.47 -3.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.8 tt0 -28.57 -44.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.409 1.068 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' B' ' 361' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -151.36 53.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.1 t 39.06 -151.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER 61.75 122.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.4 mt 39.9 45.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.686 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.0 m -12.23 109.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.471 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 -0.88 10.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.481 ' HG2' ' CG ' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -120.53 -78.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.556 ' C ' HG22 ' B' ' 356' ' ' VAL . . . -171.69 -37.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 16.3 p -163.06 88.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.534 ' CD2' HG23 ' B' ' 351' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.546 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -178.36 142.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -71.9 141.12 84.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.96 7.78 2.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -102.04 -19.25 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -74.92 -54.19 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -47.52 -40.45 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.53 -34.81 79.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.436 ' CB ' HG23 ' A' ' 33' ' ' ILE . 78.6 m-20 -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -62.52 -69.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.566 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.31 -32.57 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 24.5 ttt-85 -70.79 -26.49 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -75.01 -48.3 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.491 ' CD1' HD23 ' B' ' 323' ' ' LEU . 3.9 mm? -51.31 -21.93 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' SER . 35.3 mmtt -60.23 -36.84 78.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.564 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.86 -177.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -32.22 5.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 85.99 84.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.611 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.04 -100.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 14.7 mt-30 -61.4 -52.83 62.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.558 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -30.38 -60.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -41.27 -49.4 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -73.62 -28.04 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 5.4 mm-40 -68.46 -52.53 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.564 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.3 m -57.43 -53.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.04 -37.09 83.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 9.6 m-20 -56.57 -67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -55.66 -55.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -43.42 -29.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.8 mtmt -86.72 -36.37 18.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.4 t -83.82 0.16 48.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.62 109.01 1.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -46.81 -31.63 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' CD2' HG23 ' A' ' 6' ' ' ILE . 4.0 mm? -75.58 -48.05 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.479 ' CG ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -50.33 -46.2 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.11 -40.66 70.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.63 -61.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -54.94 -55.28 32.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.438 HG21 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -48.7 -42.26 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.22 -39.94 92.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -44.68 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -61.64 -47.82 83.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.5 t -72.74 -20.87 61.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.88 -8.96 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -91.88 -26.15 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.72 -51.0 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.09 -31.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.2 -50.0 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -70.41 -51.6 28.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.1 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.46 ' O ' HD21 ' B' ' 315' ' ' LEU . 7.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.518 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 13.9 tt0 -47.12 -52.5 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -49.58 -32.83 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.464 ' CA ' ' HE3' ' B' ' 313' ' ' LYS . . . -69.15 -35.36 76.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.25 -60.03 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.556 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.6 OUTLIER -62.32 -32.92 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 36.6 mm-40 -67.94 -30.5 69.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' B' ' 318' ' ' GLN . 2.0 tm0? -67.39 -48.7 66.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.54 -33.73 62.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 24.4 t -65.29 -55.22 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 2.2 t -57.56 -46.18 84.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.71 -30.59 70.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 18' ' ' LEU . 6.6 mt -67.61 -45.76 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -46.78 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.19 45.49 2.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.419 ' NZ ' HD13 ' B' ' 343' ' ' LEU . 3.2 tppp? -40.97 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -71.11 -32.94 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.435 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 4.2 tp10 -50.7 -29.48 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 2.4 m -50.46 -26.72 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.16 -61.86 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -50.23 71.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.03 53.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.0 -22.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -51.04 11.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -16.9 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 61.2 ttt180 -44.97 -25.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -42.06 -62.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.426 HD11 ' N ' ' B' ' 338' ' ' LEU . 10.6 mp -92.67 -21.16 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.22 -7.71 50.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.8 pp -146.36 16.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.434 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.5 OUTLIER -53.49 -23.63 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.475 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -73.38 -22.07 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 18' ' ' LEU . 94.2 mt -81.93 -45.5 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' B' ' 345' ' ' GLN . 6.1 p -75.96 -2.57 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.518 ' C ' ' O ' ' B' ' 344' ' ' VAL . 5.8 tt0 -29.45 -46.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -123.97 43.91 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.46 ' C ' ' O ' ' B' ' 352' ' ' LEU . 7.6 t 34.5 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER 50.97 99.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.52 95.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.587 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -55.12 108.25 1.11 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' B' ' 345' ' ' GLN . 18.4 Cg_endo -75.03 2.62 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.516 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -125.78 -63.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.523 ' N ' HG21 ' B' ' 356' ' ' VAL . . . 165.97 -38.02 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -154.9 81.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 179.1 140.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.525 ' O ' HD12 ' A' ' 11' ' ' LEU . 60.2 m -52.12 128.51 39.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.502 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 13.08 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 7' ' ' SER . 48.8 m -102.32 -9.56 20.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.61 -63.96 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.602 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -40.94 -33.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' N ' HD21 ' A' ' 11' ' ' LEU . 1.6 pt20 -70.83 -44.56 66.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ALA . 92.0 m-20 -69.94 -29.61 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD23 ' CD1' ' B' ' 319' ' ' LEU . 6.2 tt -63.5 -69.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.92 -29.46 60.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.0 ttm-85 -74.46 -24.84 59.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.514 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -78.56 -45.75 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' B' ' 322' ' ' PHE . 2.6 mt -49.55 -25.68 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -58.85 -23.79 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.642 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -60.04 -173.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.652 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 88.0 84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.65 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.5 OUTLIER 161.67 -63.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.05 -95.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -60.11 -52.78 63.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.652 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -29.9 -62.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -41.92 -49.85 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.83 -26.71 61.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 3.6 mt-30 -71.04 -54.68 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.543 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 1.3 m -57.18 -51.95 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.537 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.45 -33.79 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 2.7 m-20 -60.03 -68.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -55.65 -52.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.08 -30.85 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -85.74 -36.86 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -78.75 -4.84 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 6' ' ' ILE . 12.7 m-80 -162.15 111.39 1.14 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -45.76 -33.22 2.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -69.49 -46.21 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -58.35 -35.06 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.32 -43.81 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -61.05 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' ARG . 3.3 t80 -53.42 -56.67 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -48.85 -37.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -66.41 -42.56 87.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.51 -19.69 59.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.5 ttt180 -88.6 -29.47 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 13.5 t -95.29 -13.3 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.44 8.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' CB ' HD12 ' B' ' 340' ' ' ILE . 0.7 OUTLIER -90.38 -24.54 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.651 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -106.53 -49.2 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -47.17 -32.45 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -61.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.1 m-20 -57.55 -49.99 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 314' ' ' ALA . 4.5 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.9 tt0 -40.81 -56.1 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -59.07 -31.83 69.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -74.64 -32.63 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.22 -62.06 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.532 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -60.08 -49.88 75.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.5 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 5.0 mm-40 -43.23 -40.58 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.69 -42.54 77.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.591 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -66.02 -57.48 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.591 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -55.19 -44.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -56.71 -40.53 75.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -75.1 -32.07 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 47' ' ' GLN . 6.7 mt -61.18 -46.61 89.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -54.37 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.78 47.92 3.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -40.86 119.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -37.89 55.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.8 OUTLIER -45.83 -25.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -26.27 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.445 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.41 -71.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.51 72.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.86 51.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.11 -22.63 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -76.89 -28.78 55.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.498 ' N ' HD23 ' B' ' 334' ' ' LEU . 4.0 m-20 -81.15 -18.17 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.21 -32.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -41.73 -60.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' B' ' 355' ' ' LEU . 0.3 OUTLIER -103.06 -12.19 17.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.6 -55.27 2.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.7 pp -101.6 12.42 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER -55.3 -18.59 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -78.09 -8.77 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 2.6 mt -94.92 -45.42 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' B' ' 345' ' ' GLN . 1.4 p -69.17 -7.55 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -32.17 -38.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.569 ' CG1' HD21 ' B' ' 361' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.562 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.31 65.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.448 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.7 m 35.88 -141.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.5 OUTLIER 69.36 -169.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -38.93 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 354' ' ' LYS . 3.7 m -38.63 99.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -74.97 2.98 6.01 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.483 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -132.45 -49.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 162.64 -43.72 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.422 ' N ' HD13 ' B' ' 361' ' ' LEU . 38.5 p -156.8 90.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.569 HD21 ' CG1' ' B' ' 351' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -169.07 155.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.0 m -57.69 132.38 82.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -17.63 19.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -88.3 -32.22 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . . . -58.29 -55.98 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -40.13 -46.41 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -58.9 -42.9 90.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 10' ' ' ALA . 68.5 m-20 -62.58 -29.75 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 44' ' ' PHE . 27.7 tp -65.83 -61.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -58.34 -33.74 69.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 14.2 ttt180 -76.92 -21.73 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 13' ' ' ASP . 1.5 m -76.37 -45.6 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD23 ' CE1' ' A' ' 44' ' ' PHE . 3.9 mm? -62.29 -16.28 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' SER . 6.2 mmtp -70.36 -33.1 71.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.41 -178.75 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -31.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.86 84.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.605 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.84 -60.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -101.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.7 mt-30 -61.86 -52.31 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.552 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -30.78 -61.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -42.05 -49.82 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.5 mt-30 -72.87 -28.07 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' GLN . 7.2 mt-30 -67.1 -52.13 45.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -59.76 -51.84 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.05 -33.09 74.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 15.8 m-20 -64.69 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -53.54 -46.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -56.96 -28.21 62.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -89.68 -50.12 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -4.14 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.5 m-80 -157.71 105.99 1.79 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB2' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.29 -26.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.547 ' CD1' ' CB ' ' A' ' 37' ' ' ASN . 34.4 mt -76.7 -55.1 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.6 ttt -47.52 -43.23 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.06 -45.6 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -54.48 13.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' HD23 ' A' ' 18' ' ' LEU . 26.6 t80 -58.58 -56.85 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -48.58 -39.91 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.558 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.1 mmpt? -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' OE1' ' CG1' ' B' ' 320' ' ' VAL . 36.5 tp60 -77.45 -19.29 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -83.45 -31.08 26.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.63 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t -101.18 -11.1 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.61 -15.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.5 ' CE ' HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.64 -27.98 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.735 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.88 -53.93 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.39 -26.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -69.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -61.47 -39.04 89.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.504 ' O ' ' N ' ' B' ' 314' ' ' ALA . 6.6 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 3.0 tt0 -38.85 -60.79 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.41 -33.03 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -69.34 -33.57 73.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 11' ' ' LEU . 4.1 mm? -64.14 -61.36 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.571 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.57 -32.36 68.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 -34.53 78.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.04 -35.12 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 94.1 t -69.02 -44.87 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.8 t -67.42 -43.91 80.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.52 -40.36 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.409 HD21 ' NZ ' ' B' ' 326' ' ' LYS . 8.5 mt -66.01 -47.98 72.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.68 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -106.01 49.19 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.518 ' HB2' ' CG2' ' B' ' 340' ' ' ILE . 1.8 tppp? -40.11 131.53 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -86.86 -30.61 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -48.64 -22.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.432 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.06 -31.5 13.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.41 -41.08 93.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.83 -49.48 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.428 ' CB ' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.4 -22.72 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.23 -53.5 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 13.5 m-20 -69.34 -14.11 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -38.6 -29.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -34.43 -62.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.66 -24.16 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.75 -19.16 12.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.569 ' HB ' ' CD2' ' B' ' 343' ' ' LEU . 2.5 pp -140.83 16.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.613 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -64.33 -9.85 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -90.96 -10.94 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.569 ' CD2' ' HB ' ' B' ' 340' ' ' ILE . 0.2 OUTLIER -97.88 -16.63 19.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.613 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 0.6 OUTLIER -97.95 -7.35 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.51 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 8.0 pt20 -33.54 -36.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.635 HD11 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -59.4 -12.31 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.517 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.3 OUTLIER 84.12 -60.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -39.16 137.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.43 -165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.23 96.77 13.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.505 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.04 1.27 7.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.53 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.3 OUTLIER -128.61 -75.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 172.88 78.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 92.81 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.53 ' CD1' ' HB3' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.0 156.96 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.39 129.91 80.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -12.15 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -81.12 -32.4 33.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -57.27 -62.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.484 ' CD1' HD22 ' B' ' 315' ' ' LEU . 0.3 OUTLIER -40.21 -52.58 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.62 -42.41 74.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ALA . 90.2 m-20 -67.02 -29.4 69.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 33' ' ' ILE . 12.8 tp -63.93 -70.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -31.34 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 20.3 ttm180 -75.35 -23.57 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -76.15 -49.5 17.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.083 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.0 mm? -51.23 -22.15 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.6 mptp? -60.62 -35.21 75.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.572 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.37 -178.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -25.13 12.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.598 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 5.2 m 77.98 84.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.058 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.616 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 163.86 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.616 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -102.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.6 tt0 -59.99 -48.88 79.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.598 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 6.6 tm0? -33.2 -58.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -43.07 -49.74 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.1 mt-30 -72.53 -25.32 61.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.471 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 11.3 mt-30 -69.28 -50.54 45.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -61.76 -51.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.88 -33.69 74.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -60.21 -69.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.92 -51.23 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -50.06 -29.34 8.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.0 mtmm -90.04 -43.76 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -73.04 -3.49 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 33' ' ' ILE . 16.8 m-80 -160.72 107.04 1.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.481 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.3 tp60 -51.14 -17.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 37' ' ' ASN . 2.8 tm? -79.7 -51.42 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -52.98 -26.42 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -49.38 -43.57 44.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -61.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' GLN . 8.0 t80 -57.15 -57.7 11.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.23 -50.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.39 -40.69 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.579 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -73.58 -43.99 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.648 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.4 t -76.12 -18.66 59.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.07 -10.71 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -94.74 -26.95 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.703 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.52 -49.96 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.21 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.33 -58.98 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.52 -49.98 60.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 15.9 tt0 -34.71 -59.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -57.37 -42.89 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -60.64 -39.81 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 11' ' ' LEU . 11.1 mp -55.49 -44.03 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.689 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.14 -33.87 61.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 3.5 mt-10 -64.25 -28.73 69.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.77 -51.2 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.2 -47.96 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.689 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 89.8 t -54.94 -53.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.8 m -51.91 -51.31 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.84 -30.63 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 47' ' ' GLN . 5.7 mt -67.46 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -52.99 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.63 50.78 4.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 0.7 OUTLIER -43.26 124.91 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.747 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.47 -38.0 74.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.73 -31.95 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.4 -30.24 11.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.33 -50.26 74.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 17.9 tp -77.96 -49.13 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.542 ' CB ' ' NZ ' ' B' ' 342' ' ' LYS . . . -81.01 49.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -53.27 -22.74 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.48 -52.02 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 1.0 OUTLIER -71.29 -14.4 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' B' ' 337' ' ' ALA . 7.0 ttm180 -38.23 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -36.09 -61.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.407 ' O ' HG13 ' B' ' 340' ' ' ILE . 2.2 mm? -79.87 -30.74 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.24 8.36 58.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.535 ' O ' ' HG ' ' B' ' 343' ' ' LEU . 2.7 pp -155.93 21.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.59 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -68.15 -2.01 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.542 ' NZ ' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -89.31 -41.1 12.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 340' ' ' ILE . 2.2 pp -72.53 -11.12 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.59 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 1.6 p -116.36 -4.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' B' ' 358' ' ' ARG . 0.8 OUTLIER -31.71 -48.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.483 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.64 45.71 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 29.16 51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.437 ' HB2' ' CD2' ' B' ' 352' ' ' LEU . 0.3 OUTLIER -94.76 103.49 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' B' ' 356' ' ' VAL . 1.4 mm? 43.37 31.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.5 m 43.09 94.84 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.459 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.97 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' B' ' 345' ' ' GLN . 4.1 ttp85 -120.19 -67.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 149.41 67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 89.68 76.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -167.05 161.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.575 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -72.3 131.43 84.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 6.96 3.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -101.35 -9.39 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.08 -61.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -46.29 -30.44 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.526 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.4 mt-30 -70.98 -38.66 72.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ALA . 3.0 m-20 -76.87 -29.5 55.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 18' ' ' LEU . 5.2 tt -62.7 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -62.35 -35.94 80.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.2 ttt-85 -71.99 -18.79 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.489 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -77.62 -49.69 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.556 ' CD2' HD22 ' A' ' 14' ' ' LEU . 4.1 mm? -48.66 -26.51 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -56.09 -37.5 69.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.574 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.2 -178.21 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.91 -32.3 5.64 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.573 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.6 m 85.86 82.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 164.31 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -74.99 -102.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 tt0 -60.78 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.573 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 7.4 tm0? -32.43 -59.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.566 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.73 -50.16 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.566 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.16 -26.25 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.489 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 7.7 mt-30 -67.66 -51.33 51.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.2 m -60.08 -50.8 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -63.03 -37.34 86.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 36' ' ' SER . 3.7 m-20 -54.53 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -63.24 -47.53 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.39 -33.93 45.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -92.53 -26.23 18.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.3 t -86.83 -2.39 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 33' ' ' ILE . 14.2 m-80 -162.62 111.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.02 -66.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.547 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.7 tt0 -45.62 -32.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 3.1 tm? -74.33 -41.9 60.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 45' ' ' ILE . 8.2 ttt -58.21 -36.08 72.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.58 -38.34 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' NH1' ' A' ' 48' ' ' ARG . 3.6 t80 -60.7 -55.93 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -40.71 -49.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.68 -42.99 97.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PHE . 20.2 mm-40 -54.31 -45.33 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.539 ' NH1' ' CZ ' ' A' ' 44' ' ' PHE . 1.9 mmp_? -72.53 -45.5 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.603 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -59.7 -28.5 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -12.34 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.65 -33.14 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' B' ' 352' ' ' LEU . 0.1 OUTLIER -96.71 -25.21 15.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -73.4 -28.95 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.63 62.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 30.9 m-20 -110.4 -44.75 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.1 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.4 tt0 -37.34 -60.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.74 -34.07 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -70.93 -30.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 311' ' ' ASP . 11.0 mp -66.19 -62.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.568 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.0 OUTLIER -58.83 -31.86 68.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 28.4 mm-40 -64.8 -37.7 88.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.19 -45.06 86.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -71.09 -39.8 71.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 53.8 t -59.16 -52.17 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -42.96 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.567 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.481 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.3 mt -72.63 -35.8 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -46.15 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.24 50.16 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.567 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.2 OUTLIER -42.6 113.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -38.32 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.419 ' O ' ' OE1' ' B' ' 328' ' ' GLU . 0.1 OUTLIER -46.29 -36.14 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.78 -31.3 16.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -55.01 -66.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -52.55 64.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.434 ' HB1' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.37 52.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.46 -22.56 3.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -52.32 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 4.7 m-20 -62.42 -14.77 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' B' ' 329' ' ' THR . 0.1 OUTLIER -42.4 -26.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.45 -43.97 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.553 ' CD1' ' NZ ' ' A' ' 51' ' ' LYS . 1.6 mt -110.17 -19.68 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.24 -53.96 1.86 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.492 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -105.75 20.06 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -58.56 -11.61 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.585 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 3.3 mppt? -87.86 -25.84 23.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.485 HD12 ' CZ ' ' A' ' 48' ' ' ARG . 1.1 mp -83.56 -41.49 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 52' ' ' TYR . 7.1 p -75.06 -10.61 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.515 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.3 OUTLIER -29.02 -46.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.431 ' HB ' HG21 ' B' ' 344' ' ' VAL . 28.3 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.707 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -72.7 89.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' B' ' 356' ' ' VAL . 2.9 p -43.42 -33.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -49.12 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.2 OUTLIER -69.48 60.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 353' ' ' SER . 7.6 m -38.38 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.03 2.45 6.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.513 ' CG ' ' CG ' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -119.97 -46.35 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 165.14 -62.37 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -134.37 -50.51 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 177.13 170.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 11' ' ' LEU . 5.5 m -89.77 132.93 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.02 2.65 6.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.1 p -103.13 -11.2 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -77.18 -56.53 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -44.23 -26.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.595 ' N ' HD21 ' A' ' 11' ' ' LEU . 20.9 mt-30 -73.71 -40.14 63.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.6 m-20 -76.55 -29.67 56.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD2' ' HG ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -65.93 -64.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.04 -33.48 67.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 9.6 ttm-85 -73.82 -28.3 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.453 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -66.92 -41.3 87.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.4 mm? -61.63 -22.02 64.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 5.3 mmtt -60.76 -37.96 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.55 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.55 -178.82 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.575 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 m 86.38 83.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.591 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.64 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -102.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.65 -49.07 79.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.575 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.0 tm0? -33.26 -59.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.555 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 5.0 pt20 -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 tt0 -72.47 -26.7 61.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.5 mt-30 -71.06 -53.92 12.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -55.91 -50.29 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.78 -31.57 72.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' SER . 5.1 m-20 -61.43 -58.18 9.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.69 -43.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -56.82 -32.33 65.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.6 ptpt -92.07 -31.0 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASN . 51.9 m -86.15 -1.18 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.567 ' N ' ' O ' ' A' ' 33' ' ' ILE . 20.3 m-80 -163.24 113.42 1.03 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.7 tp60 -47.59 -32.94 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 10' ' ' ALA . 1.2 mm? -68.8 -54.74 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.0 tmm? -52.62 -39.98 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -48.91 -45.79 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' B' ' 316' ' ' LEU . . . -68.14 -61.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' B' ' 343' ' ' LEU . 4.5 t80 -53.14 -56.57 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -47.54 -43.42 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -59.63 -40.68 88.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -67.41 -45.05 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.0 mtm180 -60.39 -52.5 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.652 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.4 t -68.02 -24.18 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.385 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.11 -9.45 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.7 tptt -92.25 -27.47 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.37 -50.8 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.51 -35.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.8 -59.05 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 65.5 m-20 -62.07 -47.65 83.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 314' ' ' ALA . 17.1 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.1 tt0 -41.94 -53.23 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -48.78 -33.23 9.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -71.89 -35.35 69.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -59.21 -61.52 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.542 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.41 -37.67 75.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 14.4 mm-40 -57.12 -33.4 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.543 ' HG2' ' N ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -71.69 -46.15 59.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.543 ' N ' ' HG2' ' B' ' 318' ' ' GLN . 0.2 OUTLIER -71.76 -56.34 5.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 3.7 m -50.44 -39.84 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.5 m -60.29 -54.5 44.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.67 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.557 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 3.0 mt -70.14 -37.75 75.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.66 -51.93 58.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.59 53.4 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.557 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -41.21 118.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -39.68 68.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.78 -24.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 3.9 m -51.45 -37.59 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -49.63 76.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.52 -50.87 41.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.458 ' CB ' ' HE2' ' B' ' 342' ' ' LYS . . . -79.83 52.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 14.7 pt-20 -51.68 -22.36 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.84 -35.74 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.474 ' CB ' ' HE3' ' B' ' 342' ' ' LYS . 1.8 m-20 -78.56 -14.61 59.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.37 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.0 -63.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.449 ' CD2' ' OD1' ' B' ' 341' ' ' ASP . 8.3 mp -93.55 -23.17 18.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.86 -6.69 32.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.47 HD13 ' CG ' ' A' ' 51' ' ' LYS . 2.6 pp -155.58 22.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.449 ' OD1' ' CD2' ' B' ' 338' ' ' LEU . 0.1 OUTLIER -49.7 -30.55 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.474 ' HE3' ' CB ' ' B' ' 335' ' ' ASP . 0.3 OUTLIER -61.58 -29.26 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 44' ' ' PHE . 2.9 mp -79.4 -25.56 42.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.601 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -88.51 -6.36 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.469 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 8.8 tt0 -36.57 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 18.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -100.85 -8.37 22.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.3 OUTLIER 84.04 -56.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' B' ' 353' ' ' SER . 1.5 ttmt -40.65 109.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 66.21 79.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.452 ' CG1' HD21 ' B' ' 361' ' ' LEU . 5.7 m -39.86 101.18 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.43 6.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.501 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER -116.71 -34.34 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 133.64 -53.14 0.8 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 22.7 t -150.56 93.49 1.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 0.793 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -152.72 158.61 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.51 148.14 98.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -65.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -34.86 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -60.97 -58.47 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.761 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.64 -32.73 52.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.529 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.9 mt-30 -74.47 -31.06 62.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -74.25 -32.36 62.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD2' ' CD2' ' B' ' 319' ' ' LEU . 1.1 tp -68.21 -60.39 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -52.64 -38.34 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.6 ttm180 -76.45 -23.2 53.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.505 HG22 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD21 ' CD2' ' B' ' 323' ' ' LEU . 3.3 mt -63.73 -25.3 68.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.9 mptp? -59.0 -24.89 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.649 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -58.51 -173.75 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.04 -36.54 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.604 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 89.42 74.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 171.7 -62.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.983 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -95.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -57.36 -52.39 65.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.604 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 36.1 tp60 -28.48 -62.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.544 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -42.46 -49.74 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -72.66 -27.18 61.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.505 ' CB ' HG22 ' A' ' 17' ' ' THR . 1.9 mt-30 -72.3 -54.5 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 1.3 m -55.7 -49.83 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.93 -32.1 73.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' SER . 1.9 m-20 -59.42 -59.08 6.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -68.71 -44.38 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.58 -31.93 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.617 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -93.38 -28.23 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASN . 50.9 m -89.25 1.2 56.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.1 m-80 -163.16 111.89 1.03 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.04 -68.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.507 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 43.0 tp60 -45.88 -27.46 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 3.3 tm? -74.91 -53.68 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -54.21 -26.98 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -60.81 -40.5 92.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.45 -56.25 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' B' ' 343' ' ' LEU . 2.7 t80 -58.94 -57.54 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.494 HD12 ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -47.13 -35.35 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.5 mmmt -75.65 -32.66 60.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.5 tp60 -72.62 -46.96 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.61 -37.33 79.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.603 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.8 t -77.43 -20.21 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -10.58 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.62 -29.31 20.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.695 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -102.84 -53.66 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.16 -27.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.14 -69.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -60.65 -38.94 86.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.512 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 314' ' ' ALA . 8.0 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.546 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 74.5 tt0 -37.83 -54.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.476 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -63.96 -36.5 84.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -67.47 -29.01 68.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 311' ' ' ASP . 10.9 mp -66.93 -61.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.581 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -62.19 -31.63 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -68.48 -35.13 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -64.13 -50.96 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.483 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.74 -34.48 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.581 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 4.9 t -61.45 -55.0 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -43.29 79.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.585 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -64.33 -32.68 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 18' ' ' LEU . 5.5 mt -68.11 -45.23 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -41.56 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.48 45.36 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.9 OUTLIER -41.68 124.2 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 13.5 m-20 -76.8 -33.67 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -32.42 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.5 OUTLIER -67.5 -33.97 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -53.87 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.446 ' CB ' ' CE ' ' B' ' 342' ' ' LYS . . . -80.29 53.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.424 ' HG3' ' CD2' ' B' ' 334' ' ' LEU . 16.2 pt-20 -47.54 -23.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.424 ' CD2' ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -74.82 -49.34 21.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -66.2 -14.38 61.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' B' ' 335' ' ' ASP . 5.8 tmm_? -35.9 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -50.16 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.403 ' O ' HG13 ' B' ' 340' ' ' ILE . 0.9 OUTLIER -86.65 -29.71 22.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.46 -0.13 43.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.447 HD13 ' CG ' ' A' ' 51' ' ' LYS . 2.5 pp -156.08 22.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -52.1 -20.4 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.446 ' CE ' ' CB ' ' B' ' 332' ' ' ALA . 2.4 mptt -73.68 -25.79 60.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 mp -88.12 -14.82 37.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.61 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -95.32 -4.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' B' ' 345' ' ' GLN . 4.2 pm0 -39.2 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.574 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -120.15 -5.47 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -179.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.055 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -31.87 10.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.02 -99.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.43 ' CG1' HD21 ' B' ' 361' ' ' LEU . 2.2 m -156.71 108.26 1.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.3 Cg_endo -74.98 2.9 6.11 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.504 ' CB ' HD13 ' B' ' 361' ' ' LEU . 0.8 OUTLIER -121.19 -51.32 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 154.9 -47.28 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 85.2 p -155.09 86.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -174.15 159.25 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 11' ' ' LEU . 6.1 m -75.49 129.19 82.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.515 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 10.78 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -102.26 -10.75 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -80.96 -60.22 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.658 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.63 -32.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' N ' HD21 ' A' ' 11' ' ' LEU . 26.3 mt-30 -73.88 -41.09 62.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 40.7 m-20 -69.63 -28.06 65.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -65.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.559 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.04 -39.86 43.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.5 ttm105 -70.01 -28.98 65.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.55 -40.8 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' CD2' HD23 ' B' ' 323' ' ' LEU . 3.5 mt -63.87 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 11.1 mmtt -52.96 -22.97 6.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.691 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 p -60.3 -171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.691 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -74.98 -35.16 3.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.655 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 85.2 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.631 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -62.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -96.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.7 mt-30 -60.98 -52.13 66.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.655 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 4.0 tm0? -29.21 -62.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -40.64 -50.65 3.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -73.16 -28.65 62.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.9 mt-30 -67.71 -54.01 22.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -57.58 -53.91 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.54 -35.57 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.8 m-20 -60.2 -69.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.57 -60.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.05 -29.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.7 mttm -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.9 m -72.28 -8.09 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 11.2 m-80 -158.98 96.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.03 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.7 tt0 -45.26 -23.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' CD1' HD23 ' A' ' 14' ' ' LEU . 3.4 tm? -83.96 -45.5 13.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -49.91 -24.33 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.45 -38.7 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.89 -61.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 1.4 t80 -57.53 -56.72 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.481 ' O ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -42.21 -46.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.6 mmmt -63.7 -38.74 92.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -62.42 -49.98 73.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.527 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.12 -35.47 80.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.623 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -76.48 -18.25 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.387 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -9.13 12.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 13.6 tptt -92.43 -23.04 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -109.06 -51.18 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.03 -32.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -62.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 7.6 m-20 -54.48 -46.81 73.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 314' ' ' ALA . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 1.2 tt0 -36.89 -57.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.484 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.99 -36.85 82.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -65.68 -35.5 80.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.503 ' CB ' ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -60.1 -62.03 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.2 OUTLIER -58.38 -42.9 88.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 25.4 mm-40 -46.38 -41.7 13.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.59 -35.93 68.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.58 -47.01 57.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -65.52 -37.79 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -66.54 -46.25 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -31.14 72.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.487 HD23 ' CD2' ' A' ' 18' ' ' LEU . 10.6 mt -68.42 -45.63 72.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -46.98 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.23 52.33 1.08 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -41.57 107.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -28.3 66.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.26 -25.38 47.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 2.7 m -56.69 -38.75 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.84 -47.42 84.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.69 -48.28 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' B' ' 335' ' ' ASP . . . -79.83 54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.411 ' HG3' ' CD1' ' B' ' 334' ' ' LEU . 12.1 pt-20 -46.45 -23.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' B' ' 332' ' ' ALA . 11.1 mp -77.47 -45.43 25.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' B' ' 332' ' ' ALA . 0.4 OUTLIER -70.73 -16.63 62.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 1.4 tmm_? -42.24 -27.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -47.12 -61.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.45 ' CA ' ' HE2' ' A' ' 51' ' ' LYS . 5.4 mp -95.14 -23.3 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.15 -17.44 17.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.589 ' CD1' ' CG2' ' B' ' 344' ' ' VAL . 2.4 pp -152.55 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 0.0 OUTLIER -47.9 -35.54 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -60.69 -29.5 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -80.35 -35.4 35.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.596 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -75.96 -3.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.543 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 9.7 pt20 -42.56 -30.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.553 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -110.35 -8.61 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.419 ' O ' ' O ' ' B' ' 352' ' ' LEU . 15.5 t -45.55 171.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -99.66 -31.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.99 -108.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' B' ' 361' ' ' LEU . 12.0 m -147.07 103.67 3.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -74.98 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.543 ' CG ' ' HB2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -117.78 -70.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 153.83 71.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.0 t 86.2 80.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 176.77 151.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 m -61.13 151.58 74.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.584 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -22.38 -51.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -43.81 -64.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.768 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.38 -34.75 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.56 ' N ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -70.57 -28.8 65.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' ALA . 70.8 m-20 -75.19 -32.52 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.14 -60.53 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -56.96 -34.45 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 29.8 ttt180 -75.3 -25.11 57.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -71.56 -36.56 70.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' B' ' 323' ' ' LEU . 1.7 mm? -66.6 -31.14 71.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 28.7 mmtt -52.34 -33.31 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -51.35 -175.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.3 p 90.48 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 159.75 -62.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.68 -51.46 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.649 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 6.8 tm0? -30.77 -61.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.3 pt20 -43.13 -49.93 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.4 mt-30 -72.31 -25.37 61.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.9 mt-30 -69.61 -51.17 37.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.85 -52.06 66.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.41 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.9 m-20 -58.97 -60.35 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.42 -59.8 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -38.32 -34.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.3 mttm -61.77 -53.71 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ILE . 58.4 m -101.76 21.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 m-80 -121.92 89.47 48.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.434 1.755 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.8 tp60 -81.04 -15.29 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -78.9 -54.69 5.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 24.4 ptt? -57.04 -28.09 62.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.39 -44.82 45.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.5 -60.85 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.1 t80 -54.51 -56.71 16.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -46.96 -36.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -73.23 -32.73 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 mm-40 -71.76 -48.0 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.8 ptt180 -67.28 -43.37 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.626 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -71.77 -26.33 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -61.54 -11.53 11.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.09 -27.44 21.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CD1' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.42 -52.54 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.09 -36.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -65.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.535 HD22 ' NZ ' ' A' ' 51' ' ' LYS . 25.3 m-20 -57.52 -47.87 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.4 pp0? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.519 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 4.4 tt0 -32.82 -59.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -56.7 -46.13 81.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -54.84 -41.16 70.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' B' ' 312' ' ' GLU . 3.9 mm? -57.81 -43.32 85.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.6 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 2.4 mt -71.7 -32.36 67.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' B' ' 321' ' ' SER . 4.1 mt-10 -63.59 -32.88 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -50.06 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -69.38 -56.78 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.6 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 71.4 t -48.94 -54.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -50.42 -54.18 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.551 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.94 -30.79 70.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 47' ' ' GLN . 5.1 mt -65.43 -48.01 74.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.74 -54.36 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -83.3 48.55 4.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.441 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 1.6 tppp? -44.42 130.71 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.99 -35.96 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.407 ' C ' ' NZ ' ' B' ' 342' ' ' LYS . 0.5 OUTLIER -61.21 -15.0 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 21.8 m -67.71 -32.46 73.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.05 -56.71 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.67 -50.8 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -79.92 52.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.83 -22.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' B' ' 332' ' ' ALA . 31.3 mt -77.57 -51.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -63.82 -16.59 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -30.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -45.52 -48.0 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.498 ' CD1' ' OD2' ' B' ' 341' ' ' ASP . 13.4 mt -106.75 -13.8 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.7 -55.8 1.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -101.29 18.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.84 -19.2 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.407 ' NZ ' ' C ' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -83.27 -12.45 56.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' B' ' 340' ' ' ILE . 2.3 mm? -94.61 -15.11 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.545 HG12 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -100.14 -12.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.438 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 15.3 tt0 -36.94 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.552 ' O ' ' C ' ' B' ' 352' ' ' LEU . 13.7 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.668 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER 28.83 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.5 m 152.0 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -56.96 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' B' ' 356' ' ' VAL . 24.6 mt -68.92 63.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' B' ' 359' ' ' GLY . 3.8 m -39.61 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.535 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.98 -3.94 14.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.501 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.13 -33.93 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.521 ' O ' ' CG2' ' B' ' 356' ' ' VAL . . . 148.84 -68.72 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.411 ' C ' ' CD2' ' B' ' 361' ' ' LEU . 94.8 p -122.43 -61.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -156.85 152.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.407 ' O ' HG21 ' A' ' 6' ' ' ILE . 3.5 m -60.83 153.9 61.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.537 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' GLN . 4.2 m -33.28 -38.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -44.1 -32.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -67.65 -43.58 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.598 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.25 -40.42 71.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 18' ' ' LEU . 4.4 tt -67.08 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' B' ' 322' ' ' PHE . 0.2 OUTLIER -51.53 -33.0 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttt180 -76.01 -32.94 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 14' ' ' LEU . 2.7 m -56.75 -39.84 74.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD22 ' CE2' ' A' ' 44' ' ' PHE . 3.7 mm? -63.0 -29.73 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 13.3 mmtp -53.01 -34.0 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.636 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -52.26 -174.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.02 -36.76 2.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.64 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.94 82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.647 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.37 -63.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.94 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.1 mt-30 -59.84 -52.17 66.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.64 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -29.95 -61.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -42.22 -49.78 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.484 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 6.4 mt-30 -69.83 -53.04 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.29 -51.63 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.531 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.59 -33.63 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 2.1 m-20 -57.83 -64.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.694 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -63.23 -59.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -40.5 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 33' ' ' ILE . 9.2 mttm -74.8 -54.44 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 68.8 m -95.11 18.88 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.694 ' N ' ' O ' ' A' ' 33' ' ' ILE . 20.8 m120 -151.16 92.77 3.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.74 -42.58 62.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.62 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 19.4 mt -63.19 -55.47 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ILE . 11.1 ttt -50.43 -41.75 53.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.52 -46.9 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.53 -55.62 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.55 ' CE2' HD22 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -56.0 -59.58 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -44.58 -50.81 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.26 -36.17 82.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' NH2' ' CD1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.17 -51.42 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.668 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.2 t -66.07 -15.63 63.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -7.63 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.3 tppm? -94.0 -24.98 17.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.715 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.82 -50.21 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.57 -38.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.78 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 m-20 -68.38 -52.96 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 23.3 tt0 -46.72 -37.27 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -52.41 -30.92 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -76.62 -32.57 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' B' ' 315' ' ' LEU . 0.7 OUTLIER -57.84 -60.26 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' B' ' 312' ' ' GLU . 0.2 OUTLIER -64.51 -50.47 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 15.3 mm-40 -43.06 -37.83 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.458 ' C ' ' CD ' ' B' ' 318' ' ' GLN . 5.6 tm0? -72.01 -45.72 59.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.485 HD23 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.44 -51.82 46.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.421 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 1.4 m -56.96 -40.82 74.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.7 m -59.12 -49.45 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -68.42 -32.31 72.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.504 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 3.9 mt -66.61 -47.37 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -54.29 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.46 56.09 2.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.84 124.36 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.29 -38.27 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -51.97 -20.89 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.406 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 2.6 m -53.36 -31.55 45.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.73 -60.35 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -51.46 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -79.66 53.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -45.83 -23.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -80.74 -52.25 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' B' ' 337' ' ' ALA . 2.2 m-20 -63.74 -15.43 58.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 1.1 ttt180 -43.99 -26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.36 -62.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.22 -19.76 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 78.09 -6.44 49.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.545 ' CD1' ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -154.36 22.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.463 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 4.0 t70 -62.2 -12.74 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -7.42 59.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.51 ' CB ' ' CZ ' ' A' ' 48' ' ' ARG . 1.3 mm? -98.73 -41.43 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 1.8 p -74.87 -3.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.514 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 4.5 pt20 -44.83 -46.4 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' B' ' 345' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.435 HG12 ' O ' ' B' ' 344' ' ' VAL . 22.4 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.431 HD11 ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -122.21 6.82 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 7.1 m 44.55 60.55 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 112.4 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.69 32.57 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' B' ' 355' ' ' LEU . 11.7 m 40.31 80.74 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.3 Cg_endo -75.06 6.74 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.514 ' CB ' ' HB2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -130.3 -42.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.24 -45.92 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.7 t -152.93 86.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.625 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.543 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 179.31 150.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.34 129.74 68.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -10.11 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.76 -32.83 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -57.35 -59.26 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' B' ' 315' ' ' LEU . 0.5 OUTLIER -41.01 -47.34 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.41 -42.42 91.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -63.99 -36.83 85.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' CD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -59.91 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.8 -31.34 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 13.6 ttm180 -75.63 -20.98 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.513 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 2.4 m -79.27 -44.66 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.4 mm? -52.38 -20.52 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 4.0 mttt -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.82 -176.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.07 -33.46 4.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.575 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.82 86.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.624 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.08 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -95.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.0 mt-30 -62.74 -57.53 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.575 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 13.8 tt0 -28.44 -62.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -39.85 -51.24 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.26 -28.19 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 3.4 mt-30 -67.91 -53.7 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.574 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.4 m -56.87 -53.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.47 -32.07 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.9 m-20 -62.55 -64.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -59.96 -46.1 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -55.33 -28.87 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -84.89 -50.51 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -5.48 34.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 23.3 m-80 -152.18 105.44 2.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.543 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.98 -26.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CD2' HD13 ' A' ' 6' ' ' ILE . 1.2 mm? -78.34 -47.73 17.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.9 ttt -49.88 -47.6 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.14 -44.86 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.48 -62.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 10.6 t80 -54.35 -58.27 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.14 -41.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 7.1 mmmt -62.85 -38.49 91.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -68.34 -44.17 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.6 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.24 -37.47 85.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.632 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -74.74 -22.07 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.74 -11.85 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 57.5 tptt -89.22 -23.73 22.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.41 -53.33 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.95 -33.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.29 -55.72 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 m-20 -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' B' ' 314' ' ' ALA . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 13.5 tt0 -35.37 -53.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.504 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.24 -42.57 96.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -57.43 -38.08 73.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.48 ' CD1' HD11 ' A' ' 11' ' ' LEU . 4.1 mm? -59.51 -51.35 70.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.683 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.7 OUTLIER -66.18 -42.35 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 51.7 mm-40 -59.21 -28.29 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.53 -50.79 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' B' ' 323' ' ' LEU . 0.1 OUTLIER -78.22 -23.82 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.683 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 55.3 t -72.56 -53.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 8.6 t -61.8 -40.26 94.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.666 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -64.93 -35.68 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' B' ' 319' ' ' LEU . 6.0 mt -69.26 -39.49 78.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -54.73 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.53 51.05 4.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.666 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 3.0 tppt? -41.29 123.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.36 -40.14 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -46.5 -31.83 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 3.2 m -51.06 -30.01 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.2 -61.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.82 -48.91 77.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 335' ' ' ASP . . . -80.68 51.94 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -51.82 -22.01 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -31.8 33.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.74 -17.1 57.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 1.2 mtm180 -35.49 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -40.04 -63.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.521 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.8 mm? -99.46 -21.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 76.6 -51.66 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.55 ' CG2' ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -113.48 23.0 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.55 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -54.04 -32.9 55.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.897 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.69 -26.91 67.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -76.61 -48.74 18.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.1 p -71.45 -3.47 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' B' ' 344' ' ' VAL . 41.7 tt0 -33.6 -34.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.62 54.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.457 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 34.96 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 353' ' ' SER . 1.5 mtmm 54.97 105.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 356' ' ' VAL . 2.1 mm? 60.83 62.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.1 m -31.38 102.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.86 4.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.499 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.2 -42.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 124.07 87.62 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.8 OUTLIER 90.52 -72.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 2.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.575 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 178.74 141.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.72 143.16 40.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.506 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -63.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' GLN . 81.6 p -38.69 -38.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.91 -29.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -64.3 -46.54 83.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.41 -32.95 73.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -39.86 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -65.08 -66.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.613 HD22 ' CG ' ' B' ' 322' ' ' PHE . 0.7 OUTLIER -50.67 -31.14 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -77.18 -26.69 53.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.48 ' CG2' HG11 ' A' ' 30' ' ' VAL . 1.4 m -70.96 -36.46 72.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 2.9 mm? -69.04 -27.52 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 9.7 mmtp -53.19 -37.73 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.587 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.42 -177.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 -35.76 3.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.602 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.2 m 91.56 83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.98 -60.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -95.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' GLN . 36.6 mt-30 -63.0 -54.81 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.602 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.8 tt0 -29.93 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.547 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.6 pt20 -40.51 -49.89 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -74.55 -27.99 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.8 mt-30 -69.15 -52.63 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.3 m -56.85 -52.73 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.37 -32.66 74.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.0 m-20 -59.13 -54.89 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -76.07 -43.54 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -55.67 -30.17 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -90.81 -32.79 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -89.87 4.26 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.606 ' N ' ' O ' ' A' ' 33' ' ' ILE . 25.2 m-80 -158.77 109.43 1.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -59.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.575 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.8 tt0 -47.31 -23.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' ' CG2' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -84.14 -42.59 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.475 ' HA ' HD21 ' A' ' 34' ' ' LEU . 1.5 ttt -50.4 -55.59 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.63 -33.88 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.86 -61.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 7.8 t80 -60.92 -55.21 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -41.73 -51.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -62.51 -38.05 88.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CG ' HD11 ' B' ' 323' ' ' LEU . 10.7 tp60 -63.07 -32.62 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HG2' ' CD1' ' A' ' 44' ' ' PHE . 4.4 mmp_? -77.64 -45.4 25.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.688 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -70.98 -15.08 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -11.14 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 14.2 tppt? -93.5 -25.85 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.696 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -103.78 -48.5 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.49 -39.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -63.37 -51.26 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.8 m-20 -64.16 -52.12 60.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.978 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.6 tt0 -36.79 -53.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.2 OUTLIER -66.06 -36.54 83.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -64.55 -33.96 77.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.487 ' HG ' ' CD1' ' A' ' 11' ' ' LEU . 10.3 mp -65.76 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.577 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.4 OUTLIER -59.95 -29.53 68.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.6 mm-40 -68.74 -33.83 74.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -46.18 78.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.46 -35.27 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.577 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 23.1 t -64.06 -54.69 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.2 t -57.26 -45.72 83.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.047 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.613 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.54 -32.3 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 47' ' ' GLN . 4.0 mt -72.27 -34.93 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -54.36 47.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.9 56.29 2.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.479 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 0.9 OUTLIER -49.76 120.5 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.79 -36.01 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -46.55 -29.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.406 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 1.6 m -55.25 -31.44 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.51 -61.14 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.14 -42.45 98.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.517 ' CB ' ' NZ ' ' B' ' 342' ' ' LYS . . . -81.36 48.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.432 ' CG ' HD21 ' B' ' 334' ' ' LEU . 6.8 pt-20 -52.47 -25.94 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.432 HD21 ' CG ' ' B' ' 333' ' ' GLU . 3.8 mm? -83.08 -50.41 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' B' ' 337' ' ' ALA . 12.9 t70 -68.7 -13.1 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.1 OUTLIER -37.66 -29.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -35.6 -52.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.422 ' CB ' ' HB2' ' B' ' 341' ' ' ASP . 0.0 OUTLIER -110.41 -15.98 13.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 67.99 -56.67 0.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -101.76 19.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.507 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 15.7 t70 -54.21 -15.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.517 ' NZ ' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.65 -25.27 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.486 HD23 ' CZ ' ' A' ' 48' ' ' ARG . 5.4 mp -80.41 -32.66 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.9 p -87.75 -4.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' B' ' 358' ' ' ARG . 1.3 tt0 -32.41 -45.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.989 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.497 HG22 ' CG ' ' B' ' 357' ' ' PRO . 2.5 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.528 ' CD1' ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -61.08 -11.76 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.512 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.7 OUTLIER 57.54 -154.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.048 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.42 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.625 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.5 mt -77.41 57.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.647 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 1.5 m -19.5 99.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.497 ' CG ' HG22 ' B' ' 351' ' ' VAL . 18.2 Cg_endo -75.01 8.57 2.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.494 ' CG ' ' CG ' ' B' ' 345' ' ' GLN . 1.4 tmt_? -131.74 -72.22 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.46 ' N ' HG21 ' B' ' 356' ' ' VAL . . . 179.48 -37.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.3 t -160.37 80.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.514 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.31 149.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 11' ' ' LEU . 19.3 m -66.94 132.48 93.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 13.19 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 7' ' ' SER . 16.4 m -100.37 -11.84 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.619 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.17 -34.97 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.462 ' N ' HD21 ' A' ' 11' ' ' LEU . 64.9 mt-30 -67.79 -40.56 83.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.0 m-20 -72.5 -27.81 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 33' ' ' ILE . 13.7 tp -60.89 -64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -58.09 -37.5 74.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.419 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.2 ttt85 -66.37 -27.46 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.527 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' CD2' HD23 ' B' ' 323' ' ' LEU . 4.1 mt -47.74 -29.37 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.1 24.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.689 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.92 -171.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.689 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.632 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.78 81.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.635 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 164.35 -62.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -93.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 mm-40 -59.77 -52.25 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.632 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.7 OUTLIER -29.09 -62.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.6 pt20 -40.76 -49.49 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.17 -29.99 62.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 1.9 mm100 -69.13 -52.94 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.554 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.5 m -58.55 -53.29 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -61.49 -38.06 85.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.5 m-20 -53.26 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.64 -49.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -47.25 -32.7 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.72 -25.93 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -85.19 -3.01 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ILE . 16.3 m-80 -164.13 112.49 0.93 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.514 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.0 tp-100 -45.28 -34.9 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.8 tm? -69.61 -47.16 64.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.583 ' HA ' HD21 ' A' ' 34' ' ' LEU . 1.1 ttt -55.51 -35.91 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.06 -36.28 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.92 -60.61 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 48' ' ' ARG . 11.6 t80 -55.69 -54.79 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.438 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.43 -42.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.96 -40.88 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -68.88 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.551 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 mtm180 -62.91 -50.92 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.676 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -72.23 -19.99 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -9.97 6.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.532 ' CG ' HD12 ' B' ' 340' ' ' ILE . 21.2 tptp -96.01 -24.57 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -104.79 -43.91 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -55.33 -25.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.24 13.2 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER 179.86 50.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm100 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 314' ' ' ALA . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.405 ' O ' HD22 ' B' ' 316' ' ' LEU . 35.6 tt0 -38.92 -50.7 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.49 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.26 -36.62 84.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.98 -32.9 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.476 ' CB ' ' HG ' ' A' ' 11' ' ' LEU . 4.3 mm? -64.93 -60.99 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.405 HD22 ' O ' ' B' ' 312' ' ' GLU . 1.9 pp -61.88 -30.59 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.487 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 7.7 mm-40 -68.52 -29.28 67.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 17.4 tt0 -75.56 -45.8 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -66.66 -49.16 67.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.508 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 9.9 p -57.98 -48.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' B' ' 320' ' ' VAL . 42.2 t -60.27 -45.32 93.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -63.98 -30.91 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 18' ' ' LEU . 9.4 mt -64.85 -47.85 76.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -39.63 57.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -107.88 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -41.22 136.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -33.68 16.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -47.08 -24.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 62.5 m -54.29 -28.06 39.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -63.73 -71.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -48.9 63.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' B' ' 335' ' ' ASP . . . -80.06 53.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -50.41 -22.11 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -33.55 31.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -77.36 -13.83 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' B' ' 335' ' ' ASP . 12.9 mtm180 -36.09 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -43.69 -62.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 30.3 mt -103.81 -21.35 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.422 ' C ' ' OD2' ' B' ' 335' ' ' ASP . . . 69.27 -51.45 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.592 ' HB ' ' CD2' ' B' ' 343' ' ' LEU . 1.9 pp -101.11 20.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.63 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -67.1 -2.16 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -90.08 -50.41 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.592 ' CD2' ' HB ' ' B' ' 340' ' ' ILE . 1.4 pp -59.81 -24.35 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.63 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.5 p -94.33 -12.91 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' B' ' 344' ' ' VAL . 20.4 tt0 -30.84 -40.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 39.99 -103.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.4 t 147.19 -53.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -39.33 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.6 OUTLIER -69.05 64.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' B' ' 361' ' ' LEU . 1.1 m -38.26 98.59 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.492 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.02 4.29 4.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.459 ' CB ' HD13 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.69 -49.92 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 125.51 73.24 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 84.92 79.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.958 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -158.95 152.71 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -66.76 153.51 93.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.99 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -31.87 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -59.47 -56.2 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.97 -31.66 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.544 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.0 mt-30 -74.39 -30.39 61.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.4 m-20 -77.15 -30.57 55.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -69.45 -64.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.85 -42.33 65.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 16.8 ttt180 -65.7 -41.16 92.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' HG11 ' A' ' 30' ' ' VAL . 1.3 m -53.83 -35.93 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.0 mm? -69.7 -24.08 63.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.4 mmtp -59.23 -34.14 71.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.43 -177.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -31.6 6.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.546 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.31 84.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.02 -102.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.34 -50.71 72.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.546 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -32.16 -60.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -41.71 -48.68 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.533 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 mt-30 -73.35 -28.44 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' GLN . 7.7 mt-30 -67.16 -51.23 56.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.57 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -60.29 -54.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.23 -35.06 76.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.2 m-20 -58.87 -64.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -62.62 -60.62 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 2.3 mt -36.69 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 mtmt -70.21 -53.91 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' ILE . 35.4 m -92.7 20.28 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.0 m-80 -142.21 86.2 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -79.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 23.0 tp60 -50.21 -22.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -83.68 -41.67 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.527 ' HA ' HD21 ' A' ' 34' ' ' LEU . 2.4 ttt -57.97 -27.26 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.91 -31.02 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CD2' HD23 ' A' ' 18' ' ' LEU . 3.7 t80 -58.31 -53.6 56.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -46.17 -50.43 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.87 -42.3 89.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.478 ' CB ' HD11 ' B' ' 323' ' ' LEU . 41.3 mm-40 -65.52 -26.74 68.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.4 ttp180 -78.18 -49.01 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.642 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.3 t -78.27 -16.13 58.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -62.33 -11.8 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.497 ' CB ' HD12 ' B' ' 340' ' ' ILE . 0.8 OUTLIER -91.37 -27.71 18.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.694 ' CD1' ' CD1' ' B' ' 352' ' ' LEU . 0.1 OUTLIER -101.82 -51.66 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.08 -30.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -68.91 -58.04 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -88.62 18.29 4.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 mt-30 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' B' ' 315' ' ' LEU . 9.8 tt0 -47.73 -36.49 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -52.55 -31.78 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -75.26 -32.38 61.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 315' ' ' LEU . 0.9 OUTLIER -59.91 -60.84 3.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -62.88 -51.28 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 31.3 mm-40 -39.59 -40.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.08 -44.88 62.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.483 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.57 -47.02 77.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -66.02 -38.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 14.5 t -63.39 -46.51 86.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -69.43 -33.97 73.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.0 mt -69.53 -35.86 75.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -53.95 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.2 44.4 3.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 1.1 tppt? -41.89 124.71 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -34.21 58.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -44.94 -27.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -31.22 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.23 -68.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -49.07 74.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.99 48.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -55.95 -21.6 21.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 6.0 mp -80.95 -36.04 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -79.84 -12.79 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.6 OUTLIER -32.66 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.28 -49.95 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' B' ' 340' ' ' ILE . 1.2 mm? -110.38 -21.82 12.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 66.66 -56.72 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -93.22 20.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.466 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 1.2 t0 -54.15 -12.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.698 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -84.93 -21.86 29.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 18' ' ' LEU . 1.7 mm? -84.55 -38.36 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 6.7 p -78.9 -3.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.58 -45.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' B' ' 353' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.694 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -42.47 -27.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.504 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.1 OUTLIER 76.28 62.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 132.68 38.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.86 12.32 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' B' ' 355' ' ' LEU . 3.4 m 40.32 92.84 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.423 ' CB ' HG12 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 5.46 3.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.464 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -132.12 -67.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.89 69.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 4.3 p 86.19 80.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.433 ' HG ' ' N ' ' A' ' 6' ' ' ILE . 60.2 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -161.56 141.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.4 m -69.02 143.48 94.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.52 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 10.93 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -101.49 -10.76 19.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.22 -62.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -42.43 -29.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.601 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.33 -40.99 64.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.6 m-20 -74.65 -29.57 61.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.512 ' CD2' ' HB ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -64.95 -68.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -29.8 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -75.17 -23.79 57.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -75.97 -53.75 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.1 mm? -49.45 -26.05 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.2 mptm? -56.39 -37.43 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.4 -178.28 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -74.99 -33.06 4.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.08 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.23 -51.23 69.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.558 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -31.62 -59.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.568 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -41.86 -50.42 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -72.59 -26.61 61.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' GLN . 8.0 mt-30 -68.87 -52.34 30.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.554 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -59.4 -52.56 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -60.11 -36.66 77.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.2 m-20 -58.8 -67.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.746 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.85 -60.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -39.71 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 33' ' ' ILE . 14.3 mttm -84.51 -53.93 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 49.5 m -78.1 1.3 21.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.1 m120 -145.73 101.96 4.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -55.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -52.57 -42.29 64.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 6' ' ' ILE . 4.0 mm? -60.82 -52.74 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.88 -45.88 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.58 -46.09 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.01 -59.8 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ARG . 3.6 t80 -54.43 -57.33 11.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -48.01 -35.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.18 -50.11 67.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HB2' ' CG2' ' B' ' 320' ' ' VAL . 18.8 tp60 -74.87 -13.0 60.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -95.71 -21.2 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.611 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.1 t -99.55 -17.66 17.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 -18.47 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -82.24 -29.36 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.68 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.56 -59.59 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -39.7 -27.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -74.04 -65.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 24.6 p30 -64.75 -21.32 66.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' B' ' 314' ' ' ALA . 5.8 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 311' ' ' ASP . 11.7 tt0 -36.4 -57.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.91 -36.97 85.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.77 -33.39 75.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.6 mm? -63.93 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.86 -25.92 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 8.5 mm-40 -73.8 -28.56 61.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -74.83 -46.79 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.548 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.92 -47.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' B' ' 317' ' ' GLU . 4.0 p -62.12 -43.91 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.76 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.454 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.8 mt -63.73 -50.85 67.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -54.19 32.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.61 48.35 2.82 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.41 ' NZ ' HD12 ' B' ' 343' ' ' LEU . 2.3 tppp? -40.69 121.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -36.95 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.4 tt0 -45.64 -26.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.439 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -52.07 -34.53 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.18 -44.8 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -48.47 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.4 50.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.13 -22.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -37.89 27.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' B' ' 337' ' ' ALA . 5.0 m-20 -79.14 -18.45 53.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.439 ' CG ' HG21 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.77 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.19 -58.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -94.51 -18.12 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.64 -51.03 2.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 343' ' ' LEU . 1.6 pp -111.81 15.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 1.2 t0 -49.09 -27.27 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -68.81 -28.51 66.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.5 OUTLIER -75.92 -26.49 57.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.6 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -89.41 -11.32 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.1 tm0? -32.61 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.468 ' CG1' ' HA3' ' B' ' 346' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.91 8.66 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.5 t 82.66 -58.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.945 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 131.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 51.56 68.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.368 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' B' ' 355' ' ' LEU . 16.5 m -37.72 102.93 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' B' ' 361' ' ' LEU . 18.3 Cg_endo -74.89 -2.67 12.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.583 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.56 -43.57 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 120.12 91.17 1.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.544 ' C ' HD11 ' B' ' 361' ' ' LEU . 0.3 OUTLIER 78.69 65.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.988 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.583 ' CD1' ' HB3' ' B' ' 358' ' ' ARG . 1.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.555 ' CG1' ' HB2' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -163.12 147.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.1 m -82.77 144.82 49.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.93 10.47 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 62.2 m -100.97 -10.06 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.69 -63.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -44.33 -29.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.548 ' N ' HD21 ' A' ' 11' ' ' LEU . 1.8 tt0 -73.26 -40.52 64.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.9 m-20 -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 2.4 tp -65.97 -68.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -30.19 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 1.4 ttt-85 -74.16 -27.22 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -72.1 -47.47 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 2.8 mm? -57.92 -28.6 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.4 mptp? -53.72 -34.43 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.65 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 p -52.56 -173.21 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -75.01 -35.35 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.665 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 m 87.61 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.76 -62.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.0 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 7.1 mt-30 -60.82 -52.02 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.665 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 3.7 tm0? -29.44 -61.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.569 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.4 pt20 -41.01 -50.7 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.05 -27.84 61.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.51 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 4.6 mm-40 -67.86 -52.25 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -59.29 -52.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.93 -32.75 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -60.03 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.33 -61.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -37.1 -35.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ILE . 6.0 mtmm -62.26 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 m -100.17 18.98 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -122.74 90.27 49.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.555 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 15.8 mt-30 -75.75 -15.88 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 2.7 mm? -86.32 -55.1 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -49.72 -49.44 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.95 -42.73 76.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -58.55 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' ARG . 2.8 t80 -57.17 -56.04 26.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.43 -34.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -68.73 -47.3 66.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.42 ' NE2' HG11 ' B' ' 320' ' ' VAL . 8.8 tp-100 -73.57 -17.2 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.617 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -91.13 -31.27 16.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.592 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 14.8 t -88.51 -15.65 34.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -11.11 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 11.0 tppt? -89.5 -23.95 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.649 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.0 -45.38 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -22.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.42 16.39 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' TYR . 58.1 m-20 -143.51 -46.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.477 ' HG2' ' CD2' ' B' ' 316' ' ' LEU . 28.5 tt0 -45.23 -39.52 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -51.78 -29.79 20.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -76.43 -28.36 56.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' B' ' 315' ' ' LEU . 0.9 OUTLIER -64.83 -59.07 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.604 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.32 -35.38 80.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.4 mm-40 -68.12 -31.93 71.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' B' ' 318' ' ' GLN . 7.2 tp60 -67.89 -47.1 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.47 -34.0 63.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 38.5 t -65.88 -54.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.0 t -58.91 -41.3 86.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -34.0 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.25 -50.25 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -50.65 64.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.49 44.59 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 125.23 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.11 -41.08 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -45.29 -26.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -33.25 21.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.36 -53.15 61.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.41 -50.13 13.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.41 50.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.77 -22.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.16 -42.92 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' B' ' 337' ' ' ALA . 17.7 m-20 -76.22 -15.91 59.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -27.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.51 -60.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.3 mt -96.18 -19.15 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 78.93 -6.55 55.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 51' ' ' LYS . 2.2 pp -152.86 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER -53.34 -28.08 26.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -21.99 63.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.1 OUTLIER -80.87 -31.47 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -83.79 -8.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.0 tt0 -34.04 -36.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.481 ' CG1' HD21 ' B' ' 361' ' ' LEU . 3.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -91.9 25.44 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.7 -66.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 355' ' ' LEU . 10.1 ttmt -40.23 126.17 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 354' ' ' LYS . 4.2 mm? 58.91 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.84 95.42 33.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.471 ' CD ' HG22 ' B' ' 351' ' ' VAL . 18.5 Cg_endo -74.95 4.35 4.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.492 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -131.03 -42.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.4 73.75 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.7 t 87.28 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' B' ' 351' ' ' VAL . 1.7 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.502 HG13 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 173.8 143.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.533 ' O ' HD12 ' A' ' 11' ' ' LEU . 12.1 m -69.02 136.44 89.55 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 12.5 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 7' ' ' SER . 19.7 m -101.73 -10.74 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.44 -63.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.545 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -44.32 -29.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.545 ' N ' HD21 ' A' ' 11' ' ' LEU . 5.8 mm-40 -73.8 -40.26 63.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 10' ' ' ALA . 19.9 m-20 -73.11 -32.35 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 4.4 tp -66.89 -66.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.84 -34.15 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 2.1 ttm180 -74.44 -27.99 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -69.65 -43.99 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.0 mm? -61.19 -28.38 69.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -52.55 -35.72 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.582 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.92 -177.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.592 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 t 88.94 83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.01 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -100.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -61.61 -50.46 72.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.592 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 6.5 tm0? -32.19 -58.55 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.6 pt20 -42.43 -50.03 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.3 -25.34 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' GLN . 4.8 mm-40 -67.74 -47.52 69.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.518 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -63.46 -51.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -35.92 82.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -57.31 -58.84 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -67.68 -60.38 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -36.79 -34.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.6 mttt -63.52 -52.81 59.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -97.56 16.17 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -122.65 91.21 49.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 1.1 tp-100 -73.52 -15.16 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' ' CB ' ' A' ' 37' ' ' ASN . 1.6 mm? -82.95 -54.8 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' ILE . 19.1 ttt -50.93 -44.32 60.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -51.35 -42.56 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -59.5 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' GLN . 1.5 t80 -57.33 -58.21 9.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.24 -50.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.47 -36.74 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.551 ' CD ' ' CD1' ' B' ' 343' ' ' LEU . 0.6 OUTLIER -78.01 -47.62 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.623 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.6 t -61.58 -24.63 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.454 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.6 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -91.1 -28.88 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.698 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.09 -42.67 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -57.19 -37.97 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.9 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.7 m-20 -102.0 -42.07 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.966 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' B' ' 314' ' ' ALA . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.9 OUTLIER -38.64 -60.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -60.95 -33.05 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -67.67 -33.48 75.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.8 mm? -64.8 -61.35 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.574 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.6 OUTLIER -60.44 -31.65 70.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.9 mm-40 -68.95 -31.88 71.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.53 -35.56 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 24.4 t -63.26 -55.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.2 t -57.15 -44.56 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.3 -31.76 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.51 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 5.3 mt -68.83 -44.4 73.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -52.61 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.44 58.01 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER -46.84 121.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.02 -37.57 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.49 -22.43 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.484 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 28.0 m -50.75 -24.91 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.6 -49.75 69.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -53.41 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -79.99 52.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -50.1 -22.93 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -81.92 -52.05 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.3 OUTLIER -69.89 -14.61 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.484 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 75.2 ttt180 -39.87 -27.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.23 -49.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.482 ' CD1' ' NZ ' ' A' ' 51' ' ' LYS . 8.7 mt -103.02 -23.67 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 72.17 -1.75 31.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.513 ' CG2' ' O ' ' B' ' 339' ' ' GLY . 1.7 pp -161.36 25.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -5.92 31.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.47 -51.67 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.551 ' CD1' ' CD ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -60.18 -12.89 9.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.59 HG12 ' CE1' ' A' ' 52' ' ' TYR . 6.5 t -101.18 -13.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 20.0 tt0 -29.85 -44.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.463 ' C ' ' N ' ' B' ' 353' ' ' SER . 1.1 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.638 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -40.33 -28.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 88.75 -51.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 356' ' ' VAL . 4.8 tttt -49.21 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -69.66 64.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -33.75 98.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.02 2.99 6.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.551 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -124.5 -57.84 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 137.45 74.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 84.63 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.95 166.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 6' ' ' ILE . 75.2 m -85.73 156.31 58.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -72.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.626 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.9 p -18.96 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -39.83 -49.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -50.6 -46.88 58.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.517 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.2 mt-30 -66.09 -30.77 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -35.37 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.621 HD13 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -68.15 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.528 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.04 -34.37 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 13.2 ttm-85 -76.0 -28.04 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -73.28 -34.18 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.515 ' N ' HD21 ' A' ' 18' ' ' LEU . 3.6 mm? -67.37 -26.85 66.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -56.89 -32.06 65.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.631 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.63 -174.88 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -35.8 2.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.661 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.9 p 87.17 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.07 -62.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.96 -97.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -60.58 -49.9 75.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.661 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 2.8 tm0? -31.64 -60.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.0 pt20 -40.97 -49.22 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.2 -28.61 62.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.9 mm100 -70.31 -54.74 11.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.511 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 1.4 m -55.27 -49.08 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.24 -32.05 73.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.501 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.6 m-20 -59.97 -56.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -70.42 -46.1 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.26 -30.73 60.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.86 -34.62 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ASN . 18.9 m -79.91 -4.08 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.536 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 1.6 m-80 -158.54 108.15 1.65 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -70.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.2 tp60 -43.21 -26.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.536 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.15 -44.33 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -57.46 -28.3 63.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -60.39 -38.83 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.73 61.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' HD13 ' A' ' 14' ' ' LEU . 3.0 t80 -69.05 -56.85 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.475 ' C ' ' CD1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.83 -46.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -71.15 -35.08 71.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.6 tp-100 -66.17 -44.42 84.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 4.3 ptt180 -72.4 -40.52 67.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.696 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.2 t -72.46 -18.95 61.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.45 -13.29 12.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CD1' ' B' ' 340' ' ' ILE . 4.6 tppt? -91.12 -31.99 16.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -95.5 -50.25 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.47 -27.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -44.63 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' TYR . 10.8 p30 -103.82 18.79 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.6 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.8 m-20 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -38.95 -57.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.469 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.1 -35.9 78.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.96 -33.81 76.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 11' ' ' LEU . 4.2 mm? -64.36 -60.93 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' B' ' 313' ' ' LYS . 1.6 pp -60.68 -31.94 71.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' B' ' 321' ' ' SER . 8.9 mm-40 -68.23 -30.03 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.99 -47.03 66.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -71.83 -50.05 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.543 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 0.8 OUTLIER -57.93 -39.04 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 12.1 t -62.19 -52.48 63.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.0 OUTLIER -59.03 -29.71 67.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.514 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 8.4 mt -66.88 -49.11 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -53.24 38.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.956 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -90.07 50.79 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.51 ' CE ' ' HA ' ' B' ' 326' ' ' LYS . 0.3 OUTLIER -41.2 119.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -27.02 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -24.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.516 ' N ' ' NZ ' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -62.23 -30.61 71.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.6 -44.32 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -49.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -78.92 55.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.92 -23.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -80.73 -49.54 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.06 -15.51 33.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -49.56 -20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -36.52 -62.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.63 -17.59 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 88.06 -28.94 5.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.64 ' O ' HD21 ' B' ' 343' ' ' LEU . 2.4 pp -132.71 8.58 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.532 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -50.33 -18.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.516 ' NZ ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.51 -9.17 59.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.648 ' CD2' ' C ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -100.88 -15.07 17.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.573 ' CG2' HG21 ' B' ' 351' ' ' VAL . 1.3 p -113.07 -3.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.3 mt-30 -28.87 -46.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.573 HG21 ' CG2' ' B' ' 344' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -84.66 14.55 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 354' ' ' LYS . 16.9 t 62.94 -72.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' B' ' 352' ' ' LEU . 6.2 tttt -45.35 172.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 2.7 mp 42.73 58.37 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' B' ' 355' ' ' LEU . 17.2 m -37.38 98.25 0.15 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.488 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.94 1.05 8.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.542 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -116.69 -45.11 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 144.49 -41.77 1.07 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 96.2 p -160.31 93.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.419 ' CD1' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 175.6 147.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.562 ' O ' HD12 ' A' ' 11' ' ' LEU . 25.0 m -79.82 137.95 54.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 12.65 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 7' ' ' SER . 76.9 p -102.56 -10.5 19.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.7 -63.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -43.69 -28.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.555 ' N ' HD21 ' A' ' 11' ' ' LEU . 6.7 mt-30 -74.58 -41.14 61.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.36 -35.57 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.46 -68.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.3 OUTLIER -50.12 -29.92 10.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 10.6 ttm180 -75.84 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -67.64 -44.22 78.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 2.9 mm? -55.15 -25.01 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 6.4 mmtt -54.89 -37.87 66.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.35 -176.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -34.6 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.592 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 89.07 82.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.59 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.92 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.59 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -96.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.53 -54.88 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.592 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.3 tt0 -29.47 -60.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.8 pt20 -40.78 -50.62 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.1 mt-30 -73.73 -26.33 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLN . 3.4 mm100 -68.89 -50.52 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.78 -52.0 66.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.49 -32.7 74.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -59.63 -59.87 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.1 -59.42 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -37.75 -34.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 4.1 mttt -64.18 -52.09 60.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 33' ' ' ILE . 65.0 m -96.91 16.76 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.9 m-80 -127.82 90.74 47.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HB3' HG13 ' A' ' 6' ' ' ILE . 1.2 tt0 -65.86 -18.2 65.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.6 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -85.28 -55.46 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -48.95 -48.96 42.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.16 -44.33 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -60.47 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 5.3 t80 -52.81 -56.42 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -48.98 -41.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -62.47 -35.95 80.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -76.98 -26.33 53.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -76.18 -41.1 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.634 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.3 t -83.36 -18.7 37.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -13.57 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -85.8 -24.4 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.7 -53.63 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.53 -39.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.73 70.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -88.39 -12.85 42.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.5 mm-40 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' B' ' 314' ' ' ALA . 8.8 t70 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.6 pt-20 -37.56 -59.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -61.36 -31.84 71.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -68.25 -32.44 72.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 318' ' ' GLN . 4.3 mm? -66.97 -62.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.582 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.3 -25.19 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 25.6 mm-40 -73.48 -35.83 65.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.675 ' HG3' ' N ' ' B' ' 319' ' ' LEU . 0.9 OUTLIER -67.26 -36.26 81.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.675 ' N ' ' HG3' ' B' ' 318' ' ' GLN . 0.1 OUTLIER -84.1 -35.27 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.582 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 11.6 t -64.07 -50.13 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -47.33 77.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.605 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -57.87 -32.46 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.454 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 6.0 mt -72.29 -46.51 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -53.93 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.52 51.5 4.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.422 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 1.0 OUTLIER -42.44 125.41 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.57 -32.33 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.05 -31.36 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -51.12 -27.47 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.84 -71.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.64 -30.98 70.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.424 ' CB ' ' OD1' ' B' ' 335' ' ' ASP . . . -80.56 50.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.4 -22.8 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -51.98 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.5 ' CG ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.43 -15.57 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.1 OUTLIER -36.56 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.79 -63.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.9 -19.08 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 74.64 -5.1 31.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' B' ' 339' ' ' GLY . 2.3 pp -156.45 22.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 335' ' ' ASP . 0.6 OUTLIER -57.37 -24.79 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.5 ' NZ ' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -74.11 -18.04 60.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.437 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -84.95 -41.91 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 3.7 p -80.36 -4.85 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.2 mt-30 -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.983 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.34 107.62 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER -59.68 -149.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.13 -88.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 353' ' ' SER . 6.9 mt -77.18 56.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -38.23 102.11 0.24 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.449 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.02 -0.13 9.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.537 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -115.43 -42.78 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.09 -45.99 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 12.0 t -154.8 93.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -153.57 151.12 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -54.68 146.16 36.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.508 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 -78.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLN . 87.3 p -36.09 -39.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.5 ' CB ' ' ND2' ' A' ' 37' ' ' ASN . . . -41.18 -31.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.591 ' HG ' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -66.51 -50.1 64.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.591 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -63.84 -29.89 71.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -35.26 67.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.589 ' CD2' ' CD2' ' A' ' 40' ' ' LEU . 1.6 tp -67.95 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.96 -37.4 44.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 8.4 ttm-85 -72.85 -32.34 65.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' HG11 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.39 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 3.0 mt -75.88 -28.9 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -54.48 -22.24 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -60.36 -175.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -34.18 4.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.549 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.4 m 86.96 89.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 156.31 -60.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.94 -102.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 33.8 mt-30 -62.93 -51.31 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.549 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -31.09 -59.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.12 -50.11 4.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.96 -27.29 61.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.51 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 4.2 mm-40 -68.65 -52.61 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.24 -53.45 47.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.08 -35.28 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 3.9 m-20 -57.66 -68.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -56.28 -63.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.56 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ILE . 9.3 mtmt -81.23 -51.15 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -80.36 4.64 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -150.66 90.27 4.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.02 -77.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.96 -23.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -46.88 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -57.55 -24.77 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.67 -45.45 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -60.62 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 14' ' ' LEU . 1.6 t80 -53.89 -56.28 19.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 HG12 ' CZ ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -47.73 -35.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.557 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 4.5 mmpt? -74.67 -32.5 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -71.73 -47.55 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 5.3 ptt180 -69.0 -42.11 76.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.606 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.9 t -75.19 -20.33 59.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -62.84 -9.66 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.606 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -90.14 -24.68 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -109.04 -52.88 2.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.64 -34.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 16.6 m-20 -54.3 -43.5 71.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.442 ' O ' HD23 ' B' ' 315' ' ' LEU . 1.2 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.591 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 3.0 tt0 -61.46 -53.89 50.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -46.87 -32.92 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -74.6 -34.77 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.709 ' O ' ' HG3' ' B' ' 318' ' ' GLN . 0.0 OUTLIER -62.69 -46.46 88.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.1 OUTLIER -77.33 -50.35 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 4.2 mm-40 -39.11 -48.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.709 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.3 OUTLIER -65.11 -43.8 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.97 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.447 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 1.0 OUTLIER -55.38 -36.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.5 m -57.93 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -60.19 -32.67 71.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' B' ' 322' ' ' PHE . 9.0 mt -64.77 -44.31 90.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -47.68 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.36 46.79 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -42.33 122.63 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -35.81 73.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.31 -27.97 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 7.5 m -53.9 -27.94 33.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.56 -56.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -46.52 58.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -79.58 54.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 11.4 pt-20 -51.74 -20.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.84 -32.33 27.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -79.34 -15.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' B' ' 333' ' ' GLU . 0.9 OUTLIER -36.15 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -47.22 -62.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.59 -22.81 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.48 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 65.82 6.42 30.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.493 ' CD1' ' CG2' ' B' ' 344' ' ' VAL . 2.0 pp -156.2 22.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -46.49 -23.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.04 -42.92 68.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.537 HD22 ' CZ ' ' A' ' 44' ' ' PHE . 2.8 mp -67.02 -12.35 59.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.667 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -100.51 -15.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.2 tt0 -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.658 ' O ' ' C ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' B' ' 351' ' ' VAL . 0.0 OUTLIER 15.71 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.419 ' N ' HD21 ' B' ' 352' ' ' LEU . 2.4 p 165.53 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 137.28 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.17 72.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' B' ' 361' ' ' LEU . 2.1 m -41.83 103.96 0.33 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.99 4.66 4.54 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.498 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 4.2 ttp85 -122.13 -49.91 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 148.74 -39.09 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 55.6 p -162.33 87.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -145.97 140.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.42 128.57 32.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 3.61 5.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -102.05 -11.29 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -79.53 -59.19 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.649 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.97 -29.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.649 ' N ' HD21 ' A' ' 11' ' ' LEU . 55.3 mt-30 -70.18 -40.85 74.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.2 m-20 -71.88 -28.55 63.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 33' ' ' ILE . 9.2 tp -65.6 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.28 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 39.9 ttt180 -75.74 -27.74 58.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.489 ' CG2' ' NE2' ' A' ' 26' ' ' GLN . 1.1 m -68.42 -44.81 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 2.9 mm? -56.9 -28.96 62.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' B' ' 322' ' ' PHE . 29.0 mmtt -53.2 -29.64 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.68 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -53.54 -172.34 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.586 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.96 71.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 175.2 -63.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -98.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.6 mt-30 -54.6 -51.8 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.586 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 8.0 tp60 -26.6 -62.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -43.79 -49.35 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.14 -31.28 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 1.8 mm100 -66.36 -53.61 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.58 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.3 m -58.01 -54.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.58 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.28 -32.99 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -59.83 -68.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -58.14 -53.22 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.5 mt -47.05 -29.27 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.8 mttm -81.05 -49.54 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 0.52 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.534 ' OD1' ' CD1' ' A' ' 6' ' ' ILE . 27.5 m-80 -155.86 109.02 2.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.38 -41.5 13.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 18.5 mt -59.63 -54.66 43.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -47.93 -43.78 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.81 -43.63 81.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.25 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 48' ' ' ARG . 19.5 t80 -57.22 -55.78 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.62 -40.03 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -62.33 -48.12 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -74.16 -18.23 60.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.585 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -86.57 -31.29 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.606 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 10.5 t -89.61 -16.54 30.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.66 -13.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.95 -34.36 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.69 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -97.56 -50.46 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.93 -41.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -57.29 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.49 -49.97 75.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.964 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' B' ' 314' ' ' ALA . 9.0 t70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -43.81 -55.74 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -46.15 -28.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -77.57 -35.49 53.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -60.94 -59.32 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.12 -47.69 84.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 32.7 mm-40 -45.91 -40.25 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -43.98 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.493 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -66.47 -59.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.542 ' CG1' ' HA ' ' B' ' 317' ' ' GLU . 1.3 p -53.42 -39.34 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.7 t -59.49 -41.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.4 -32.68 62.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 6.1 mt -59.48 -45.24 92.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.9 -51.95 53.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.32 50.97 3.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.476 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.93 122.24 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -36.69 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -47.88 -29.67 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.441 HG22 ' NH1' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -51.46 -25.61 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -56.64 -68.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -49.87 74.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.79 51.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -48.49 -23.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -48.77 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 337' ' ' ALA . 70.8 m-20 -61.1 -15.36 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.441 ' NH1' HG22 ' B' ' 329' ' ' THR . 1.0 OUTLIER -39.56 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.9 -62.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 53.0 mt -88.93 -29.99 19.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.11 -12.47 24.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.476 ' CD1' ' CG2' ' B' ' 344' ' ' VAL . 2.2 pp -148.17 16.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.424 ' OD1' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -50.71 -25.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.427 ' HE2' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -66.66 -33.47 75.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.422 ' HB3' ' NE ' ' A' ' 48' ' ' ARG . 2.6 mm? -80.11 -21.04 43.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 3.2 t -86.38 -10.35 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.421 ' HA ' ' C ' ' B' ' 357' ' ' PRO . 7.5 pt20 -38.48 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 3.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.23 -13.47 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.4 t 88.29 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 102.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.6 mp 67.21 89.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.9 m -37.88 102.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.3 Cg_endo -75.05 3.14 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.478 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 1.5 ttp85 -122.11 -44.51 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.43 -43.19 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 11.4 t -155.53 91.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.606 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.511 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -161.5 161.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 6' ' ' ILE . 66.8 m -74.23 142.68 79.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.519 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -60.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 57.7 p -38.25 -37.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.1 -32.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -63.35 -46.8 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -62.71 -31.64 72.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.94 -38.78 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 33' ' ' ILE . 1.3 tp -60.92 -67.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.596 HD21 ' CE2' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -53.34 -38.07 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 4.3 ttm180 -61.22 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 ' CG2' ' OE1' ' A' ' 26' ' ' GLN . 1.3 m -69.34 -51.07 40.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.7 mm? -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 7.0 mmtt -52.93 -31.88 42.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.682 ' HG ' ' NE2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -52.58 -173.08 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.606 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 88.1 79.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 167.07 -62.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -96.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -58.01 -53.0 63.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.682 ' NE2' ' HG ' ' A' ' 20' ' ' SER . 1.5 tp-100 -27.85 -62.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -41.45 -49.89 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.37 -27.72 60.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CB ' HG22 ' A' ' 17' ' ' THR . 1.4 mm100 -70.98 -53.69 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.518 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.5 m -57.04 -50.66 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.75 -31.1 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 3.1 m-20 -59.23 -53.48 57.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.548 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -76.52 -42.71 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -57.4 -30.49 64.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.3 ptpt -90.6 -31.0 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.468 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 18.4 m -88.76 1.7 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 13.5 m-80 -160.37 114.28 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.07 -40.04 14.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 37' ' ' ASN . 1.7 mm? -60.95 -51.09 70.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.567 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.5 ttt -50.56 -46.37 57.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.75 -40.12 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -62.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLN . 6.7 t80 -57.39 -56.19 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.567 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.36 -49.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.01 -41.39 92.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 3.6 mm-40 -61.66 -45.05 95.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 6.8 mtp180 -63.79 -49.66 72.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.653 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -66.7 -25.14 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -7.9 10.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tppt? -93.98 -23.29 18.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.4 -45.11 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.39 -24.45 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.48 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.15 49.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.957 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.47 ' HA ' HD21 ' B' ' 315' ' ' LEU . 12.0 tt0 -58.64 -37.61 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -53.01 -31.34 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -72.57 -35.15 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 11' ' ' LEU . 3.8 mm? -59.96 -59.56 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.467 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.23 -38.33 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' B' ' 321' ' ' SER . 3.9 mm-40 -53.15 -38.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.501 ' OE1' ' CD1' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -64.82 -45.58 85.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.36 -56.18 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' B' ' 317' ' ' GLU . 2.3 m -53.5 -38.53 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 13.5 t -60.88 -53.76 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.596 ' CE2' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.35 -30.29 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.485 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 7.5 mt -66.38 -44.02 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -48.54 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -96.98 50.43 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.432 ' NZ ' HD22 ' B' ' 343' ' ' LEU . 1.5 tppp? -40.62 125.43 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.54 -25.94 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.36 -32.25 64.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.02 -33.06 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.62 -75.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.51 -52.8 43.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.22 51.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.77 -22.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.76 -31.4 46.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.489 ' HB2' ' CE ' ' B' ' 342' ' ' LYS . 1.1 p-10 -73.38 -16.21 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.462 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.2 OUTLIER -36.6 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.17 -63.28 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' B' ' 355' ' ' LEU . 0.0 OUTLIER -107.04 -13.05 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.424 ' O ' ' OD2' ' B' ' 335' ' ' ASP . . . 71.78 -53.97 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -109.24 21.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.475 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -52.93 -15.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.489 ' CE ' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -84.64 -30.14 25.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' B' ' 340' ' ' ILE . 3.4 mm? -75.17 -29.9 60.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' B' ' 351' ' ' VAL . 3.5 p -92.27 -4.71 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' B' ' 344' ' ' VAL . 61.4 tt0 -36.14 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.699 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.66 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 4.0 t 159.39 -61.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.5 152.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' B' ' 338' ' ' LEU . 0.8 OUTLIER 49.88 56.98 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.462 ' CG1' HD21 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -39.07 98.98 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.466 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.514 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -122.72 -40.4 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.81 93.7 1.45 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 85.52 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.038 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -158.68 148.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.456 ' O ' HD12 ' A' ' 11' ' ' LEU . 54.7 m -64.97 133.05 95.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 13.16 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 7' ' ' SER . 44.7 p -101.65 -12.21 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.48 -63.34 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.581 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.67 -33.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.472 ' N ' HD21 ' A' ' 11' ' ' LEU . 34.6 mt-30 -71.29 -41.81 69.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.5 m-20 -70.06 -30.03 67.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 18' ' ' LEU . 2.5 tt -64.55 -67.38 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -31.68 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttm-85 -77.68 -20.77 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -76.46 -51.52 11.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -46.92 -24.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 10.1 mptt -59.27 -34.24 72.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.1 -176.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.03 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.8 p 89.35 84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.619 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.74 -61.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.619 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -75.03 -99.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' GLN . 45.8 mt-30 -60.71 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.628 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.32 -59.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.4 pt20 -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -71.16 -22.97 61.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.525 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 3.0 mt-30 -73.34 -53.81 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.503 ' CG2' HD23 ' A' ' 31' ' ' LEU . 1.4 m -56.47 -48.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.14 -30.78 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.9 m-20 -61.41 -56.26 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -71.28 -40.39 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.83 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 8.3 ptpt -92.53 -47.51 7.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.506 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.6 m -75.4 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.9 m120 -143.87 101.86 4.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.94 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 49.1 tp60 -44.23 -26.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -78.02 -49.2 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -52.8 -24.99 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -58.69 -39.56 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' HD23 ' B' ' 316' ' ' LEU . . . -69.12 -59.38 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' CE1' ' HG2' ' A' ' 48' ' ' ARG . 3.5 t80 -53.23 -55.42 24.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -43.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.549 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -61.33 -39.16 89.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -69.18 -44.23 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.571 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -60.59 -51.24 70.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.717 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.7 t -70.69 -22.22 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.52 -11.47 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -95.06 -31.08 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.717 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -95.47 -49.9 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -42.59 -27.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -71.83 -55.7 7.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 5.0 p30 -83.34 3.77 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.8 mt-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 1.6 tt0 -33.39 -61.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -55.88 -45.17 78.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -58.73 -42.12 88.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' B' ' 312' ' ' GLU . 4.3 mm? -52.27 -43.81 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -73.54 -51.5 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' B' ' 321' ' ' SER . 3.3 mt-10 -38.96 -38.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -75.43 -48.14 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.56 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -70.28 -57.62 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' B' ' 316' ' ' LEU . 3.1 m -48.87 -50.54 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 38.9 t -57.66 -50.51 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.68 -31.15 71.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.475 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 3.5 mt -69.71 -41.52 75.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -54.09 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.68 56.5 4.14 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.488 ' NZ ' ' CD1' ' B' ' 343' ' ' LEU . 0.7 OUTLIER -45.12 135.71 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 5.2 m-20 -82.17 -43.64 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -46.04 -29.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.7 -32.62 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.357 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.04 -52.4 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.438 ' HB2' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.68 48.61 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.97 -22.41 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 4.5 mp -75.66 -52.28 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 30.6 m-20 -75.58 -12.92 60.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -37.64 -30.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.53 -42.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.467 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.9 mt -109.2 -19.86 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.07 -55.15 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.5 pp -104.63 15.13 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.484 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -61.03 -9.37 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 2.4 mppt? -88.17 -19.66 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.488 ' CD1' ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mp -88.64 -37.62 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.517 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 7.3 p -78.94 -3.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' B' ' 358' ' ' ARG . 0.3 OUTLIER -35.27 -42.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.422 HG13 ' O ' ' B' ' 344' ' ' VAL . 32.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -97.93 103.04 14.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 352' ' ' LEU . 3.3 m -36.02 -46.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -38.89 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.8 mt 40.57 64.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.7 m -37.03 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.98 5.33 4.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.501 ' CB ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -128.75 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 147.87 67.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 88.39 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.6 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' ILE . 63.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 80.87 159.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.26 142.34 86.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 -62.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' GLN . 56.3 m -38.83 -38.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -31.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -63.85 -48.08 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.15 -39.95 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' CG ' ' HG ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -65.93 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.58 -33.64 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 1.9 ttt85 -75.21 -27.74 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.1 m -69.83 -30.54 68.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' B' ' 323' ' ' LEU . 2.3 mm? -71.82 -30.16 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -52.91 -32.96 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.6 -177.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.94 -35.43 3.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.551 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.7 m 88.79 83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.74 -61.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 72.0 mt-30 -60.77 -49.63 76.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.8 OUTLIER -32.72 -59.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.539 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.41 -27.23 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.7 mt-30 -69.61 -53.3 19.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -58.18 -52.19 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.99 -32.75 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.8 m-20 -59.95 -68.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -56.56 -48.79 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 -28.92 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -86.46 -50.38 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -3.66 20.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.7 m-80 -152.85 105.89 2.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -69.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.1 tp60 -46.16 -25.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 2.1 tm? -73.63 -49.91 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -54.08 -31.96 53.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.47 -44.5 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' B' ' 316' ' ' LEU . . . -67.06 -54.88 17.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 2.2 t80 -59.1 -55.99 27.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -48.74 -37.94 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -64.42 -49.53 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -74.94 -12.04 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.57 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -93.03 -28.96 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.593 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -98.98 -11.08 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -12.32 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.8 tppm? -86.04 -25.77 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.682 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.6 -49.8 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -46.91 -34.83 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -67.23 -52.76 37.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.8 m-20 -61.81 -48.25 81.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.975 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 1.4 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 315' ' ' LEU . 41.5 tt0 -43.17 -41.9 3.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -47.95 -41.22 24.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -63.59 -38.71 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.48 ' CA ' HD11 ' A' ' 11' ' ' LEU . 2.1 mp -56.84 -41.91 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.564 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -76.88 -39.88 49.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 2.9 mt-10 -54.9 -31.64 60.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' B' ' 314' ' ' ALA . 0.4 OUTLIER -75.3 -52.51 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.59 ' HG ' ' CG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.0 -55.21 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.564 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 4.1 m -51.19 -39.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 3.1 m -63.93 -51.07 66.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -30.55 71.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' B' ' 319' ' ' LEU . 2.0 mt -69.18 -48.91 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -50.11 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.92 47.98 2.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -42.27 114.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 0.1 OUTLIER -75.05 -31.95 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.5 tp10 -47.28 -23.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -23.91 62.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.6 OUTLIER -67.3 -33.07 74.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . 0.418 HD21 ' N ' ' B' ' 332' ' ' ALA . 3.4 tt -86.43 -54.39 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.418 ' N ' HD21 ' B' ' 331' ' ' LEU . . . -79.38 55.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -45.67 -24.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' B' ' 332' ' ' ALA . 4.0 tp -81.09 -52.63 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' B' ' 337' ' ' ALA . 79.3 m-20 -60.15 -15.54 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -42.29 -27.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.32 -61.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.486 ' CD1' ' OD1' ' B' ' 341' ' ' ASP . 72.3 mt -101.86 -15.64 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.18 -53.63 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.515 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.8 pp -98.11 19.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.486 ' OD1' ' CD1' ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.1 -18.23 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.3 OUTLIER -82.07 -22.05 36.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' B' ' 343' ' ' LEU . 0.4 OUTLIER -83.23 -43.56 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.8 p -73.4 -4.51 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.457 ' CG ' ' HG2' ' B' ' 358' ' ' ARG . 2.5 tt0 -36.08 -45.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.984 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.49 HG22 ' CG ' ' B' ' 357' ' ' PRO . 3.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.546 ' H ' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -88.42 22.41 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.64 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.42 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.3 mt 55.55 58.22 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.6 m -38.48 98.72 0.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' B' ' 351' ' ' VAL . 18.2 Cg_endo -75.01 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.471 ' CB ' HD13 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -123.56 -43.42 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 112.8 81.92 1.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.0 OUTLIER 84.7 76.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 -179.962 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.27 153.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.473 ' O ' HD12 ' A' ' 11' ' ' LEU . 7.4 m -67.63 131.35 92.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 12.44 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' SER . 3.3 m -101.52 -10.25 20.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -83.7 -62.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.48 -33.96 1.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.1 mt-30 -68.87 -40.32 79.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' ALA . 38.9 m-20 -71.4 -29.25 64.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 12.1 tp -63.83 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.79 -31.31 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 20.2 ttm180 -75.77 -21.3 57.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.507 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -76.66 -50.7 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.0 mm? -48.97 -29.05 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.0 mptm? -52.78 -35.21 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.675 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.23 -172.48 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.675 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.629 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.2 t 85.65 74.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.623 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 172.07 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -95.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLN . 28.8 mt-30 -58.67 -52.96 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.629 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.7 OUTLIER -28.35 -62.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.552 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -40.74 -49.43 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -74.61 -31.27 61.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 7.6 mt-30 -65.7 -52.55 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.2 m -58.94 -54.64 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.14 -34.25 74.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -60.17 -68.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -55.67 -50.74 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.7 mt -50.76 -29.79 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 15.6 mttt -91.71 -29.55 16.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' ASN . 1.3 t -79.95 -9.79 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 15.1 m-80 -159.44 109.16 1.5 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.03 -66.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -47.17 -23.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -79.16 -50.32 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.571 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -49.72 -24.96 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.571 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -54.1 -35.06 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' CB ' HD23 ' B' ' 316' ' ' LEU . . . -68.71 -60.62 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLN . 6.5 t80 -60.9 -54.86 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -42.89 -48.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -61.44 -40.76 95.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.536 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 3.6 mtm180 -67.74 -50.17 58.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.02 -27.83 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' N ' HG21 ' A' ' 49' ' ' THR . . . -60.73 -8.43 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -93.79 -35.41 12.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -94.98 -42.24 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.48 -32.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.6 65.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.0 -34.84 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.7 pp0? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 315' ' ' LEU . 0.6 OUTLIER -40.7 -59.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -42.31 -42.25 3.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -56.92 -41.73 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.565 ' O ' ' HG3' ' B' ' 318' ' ' GLN . 0.9 OUTLIER -62.32 -35.39 78.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.682 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.4 OUTLIER -80.01 -27.93 39.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 7.5 mt-10 -63.22 -42.31 99.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -73.97 -47.48 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -64.06 -49.91 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.682 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 84.7 t -58.03 -54.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 22.8 t -53.5 -43.36 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.674 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.479 HD22 ' NZ ' ' B' ' 326' ' ' LYS . 6.6 mt -71.78 -46.53 58.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -52.77 58.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.49 44.3 3.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.674 ' NZ ' ' CZ ' ' B' ' 322' ' ' PHE . 7.5 tppt? -42.28 127.01 3.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.9 -38.85 22.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -24.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -54.24 -27.74 36.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.61 -29.7 59.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -54.14 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.18 52.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.75 -23.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -52.15 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 337' ' ' ALA . 5.4 m-20 -68.78 -15.7 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.419 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 60.1 ttt180 -38.73 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.98 -62.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . 0.408 HD23 ' NZ ' ' A' ' 51' ' ' LYS . 7.7 mt -82.66 -28.81 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 70.94 1.35 39.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.487 ' HB ' ' CD1' ' B' ' 343' ' ' LEU . 2.6 pp -154.96 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' B' ' 357' ' ' PRO . 12.5 t70 -60.56 -13.9 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -24.66 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.487 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 15.0 mt -82.87 -24.71 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' B' ' 357' ' ' PRO . 1.8 m -99.54 -4.24 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -31.82 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.429 ' CG1' ' HA3' ' B' ' 346' ' ' GLY . 4.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -136.11 22.52 3.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.425 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 37.33 51.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.87 140.84 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER 40.15 76.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -37.17 97.89 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.555 ' CB ' HG21 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.98 -25.59 11.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -87.67 -30.92 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 131.89 -62.99 0.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 35.7 t -139.55 91.44 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.512 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -159.7 151.1 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 11' ' ' LEU . 34.8 m -66.05 130.0 94.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.481 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 14.35 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 7' ' ' SER . 71.0 p -101.98 -11.63 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.66 -62.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.601 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.44 -33.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' N ' HD21 ' A' ' 11' ' ' LEU . 44.7 mt-30 -72.26 -40.75 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.3 m-20 -72.1 -29.1 63.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' CD1' ' CD1' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -65.95 -64.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.2 ttm180 -66.24 -28.97 69.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -71.96 -44.78 63.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.509 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 5.9 mt -56.72 -30.01 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 4.5 mmpt? -52.6 -28.01 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.706 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.3 p -54.72 -170.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.706 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.99 -34.2 4.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.684 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 83.1 86.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.633 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.94 -62.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.04 -96.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.5 mt-30 -61.24 -51.04 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.684 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 8.3 tm0? -30.12 -61.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.565 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.9 pt20 -40.83 -50.46 3.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.565 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.93 -27.93 61.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 3.4 mm-40 -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.557 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.2 m -63.79 -53.82 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.557 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.09 -40.01 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.4 m-20 -53.81 -68.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -57.07 -55.53 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -42.7 -29.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.3 mttm -85.88 -41.6 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -75.09 -2.88 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 8.8 m-80 -160.91 108.05 1.28 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.5 Cg_endo -74.92 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.512 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -48.03 -29.47 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -77.65 -35.56 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.524 ' HA ' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.17 -33.67 76.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -57.07 -38.6 73.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 7.8 t80 -54.34 -55.01 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -49.19 -42.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.2 mmpt? -62.24 -35.23 78.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.1 mm100 -71.59 -41.12 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -67.47 -50.41 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.67 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.99 -26.94 67.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -9.49 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.597 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 14.8 tppt? -92.65 -23.83 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.11 -44.18 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -54.2 -24.77 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.73 9.84 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.5 m-20 -136.53 -46.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.526 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.5 tt0 -37.36 -60.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.5 OUTLIER -64.14 -28.82 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -75.29 -32.43 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.04 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.2 OUTLIER -60.75 -49.51 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -44.99 -41.65 7.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 16.3 tp60 -67.27 -42.31 84.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.591 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.24 -57.95 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.591 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -56.84 -40.69 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 22.3 t -64.39 -41.11 96.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.578 ' CE1' ' NZ ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -72.22 -30.18 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.516 ' CD1' ' NH1' ' A' ' 48' ' ' ARG . 7.3 mt -67.44 -44.55 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.84 49.72 3.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.444 ' CE ' ' HA ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -45.65 121.42 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -80.86 -31.4 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.08 -24.4 6.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.427 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 1.2 m -54.97 -26.47 36.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.41 -44.42 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . 0.445 ' CB ' ' HE2' ' B' ' 342' ' ' LYS . . . -79.61 53.5 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -48.09 -23.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.53 -51.76 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' B' ' 337' ' ' ALA . 73.2 m-20 -66.6 -14.83 62.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.427 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.3 OUTLIER -43.58 -25.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -38.4 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.7 mt -96.49 -19.99 18.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.3 -36.63 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.515 ' CG1' ' NH2' ' A' ' 48' ' ' ARG . 2.8 pp -124.36 21.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.412 ' OD2' ' C ' ' B' ' 341' ' ' ASP . 0.7 OUTLIER -52.26 -24.19 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -72.49 -25.5 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' B' ' 340' ' ' ILE . 2.9 mm? -84.7 -26.98 27.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -82.01 -13.4 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 344' ' ' VAL . 22.6 tt0 -31.77 -44.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.961 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' B' ' 352' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 37.65 -103.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.33 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -43.19 153.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.3 OUTLIER 39.22 54.56 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.1 m -38.34 109.87 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.446 ' HD2' ' CD2' ' B' ' 361' ' ' LEU . 18.4 Cg_endo -75.0 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.18 -45.61 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 123.08 89.19 0.9 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.522 ' C ' HD11 ' B' ' 361' ' ' LEU . 1.8 t 79.01 67.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.574 ' CD1' ' HB3' ' B' ' 358' ' ' ARG . 1.2 mp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -151.42 154.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.45 141.94 41.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -73.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLN . 90.5 p -33.55 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 40' ' ' LEU . . . -39.04 -41.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -53.11 -48.52 67.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 pt20 -57.87 -38.05 75.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.6 -34.97 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CG ' HD23 ' B' ' 319' ' ' LEU . 0.4 OUTLIER -66.71 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -51.39 -31.6 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.6 ttm180 -76.03 -29.96 58.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -66.95 -38.46 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.6 mm? -68.26 -31.02 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.2 mttt -52.57 -35.72 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.95 -179.18 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.049 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.29 3.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.7 p 88.5 83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.597 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.78 -61.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.597 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.0 -105.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.4 mm100 -60.12 -46.62 89.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 7.0 tm0? -34.61 -59.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.557 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -44.11 -44.67 7.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.557 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.37 -28.0 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' GLN . 7.8 mt-30 -70.88 -44.09 67.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -62.56 -54.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.07 -34.94 75.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -58.64 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -55.39 -56.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.46 -29.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 6.2 mtmt -88.86 -41.21 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m -75.92 -0.34 21.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' HD12 ' A' ' 40' ' ' LEU . 67.0 m-80 -163.56 114.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.472 ' CB ' HG13 ' A' ' 6' ' ' ILE . 3.3 tp60 -51.18 -43.05 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -59.8 -53.55 56.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.55 -41.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -58.26 -39.3 78.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' B' ' 316' ' ' LEU . . . -69.08 -56.28 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 2.3 t80 -61.22 -55.77 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -44.53 -49.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -68.23 -28.84 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.2 mm-40 -72.26 -38.04 68.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -80.73 -35.1 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.595 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -81.87 -15.69 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -62.72 -8.76 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.6 tppm? -90.96 -24.81 20.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.725 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.96 -49.26 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -27.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.01 31.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -72.21 -44.51 62.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 314' ' ' ALA . 5.1 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 312' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' B' ' 311' ' ' ASP . 13.1 tt0 -30.83 -48.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -63.02 -54.55 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -56.75 -33.52 66.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 315' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 11' ' ' LEU . 4.2 mm? -55.2 -57.13 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . 0.489 ' C ' HG12 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.01 -54.22 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' B' ' 321' ' ' SER . 61.6 mm-40 -38.81 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.84 -48.09 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 319' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 316' ' ' LEU . 0.1 OUTLIER -72.5 -48.97 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 320' ' ' VAL . . . . . 0.489 HG12 ' C ' ' B' ' 316' ' ' LEU . 1.3 m -58.36 -36.91 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 321' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 9.2 t -63.43 -53.77 47.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 322' ' ' PHE . . . . . 0.554 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 323' ' ' LEU . . . . . 0.532 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 6.1 mt -69.57 -42.68 74.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.6 m -53.25 -47.63 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -101.21 55.43 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.532 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.8 OUTLIER -43.64 125.3 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.15 -35.84 48.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 328' ' ' GLU . . . . . 0.4 ' HB2' ' NZ ' ' B' ' 342' ' ' LYS . 45.3 mm-40 -45.88 -27.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -32.38 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -31.98 71.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.42 -52.77 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.45 50.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -48.12 -23.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.42 -47.44 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 335' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -72.03 -15.29 62.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 336' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -37.17 -31.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 337' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -44.77 -55.36 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.33 -17.5 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.31 -46.85 3.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 340' ' ' ILE . . . . . 0.491 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 2.0 pp -108.43 21.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.806 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . 0.481 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -59.52 -13.95 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 342' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -87.51 -5.94 58.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 343' ' ' LEU . . . . . 0.449 HD22 ' NH2' ' A' ' 48' ' ' ARG . 1.8 mm? -101.12 -47.19 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 344' ' ' VAL . . . . . 0.517 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 1.6 p -61.22 -12.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.1 pt20 -29.29 -43.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 346' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 352' ' ' LEU . . . . . 0.576 ' C ' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -90.91 9.7 29.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 33.9 t -81.03 148.27 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -113.71 -17.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER -90.75 22.16 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 356' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.7 m 39.17 90.45 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 357' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' B' ' 353' ' ' SER . 18.2 Cg_endo -75.04 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . 0.52 ' CB ' HD12 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -121.98 -68.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 359' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.56 60.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 360' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 93.3 77.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -102.79 -52.54 3.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 138.72 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -58.77 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.77 144.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 128.51 45.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 1.94 7.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m -103.03 -23.18 13.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -72.58 -54.7 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -46.19 -38.59 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 mm-40 -64.45 -32.98 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.3 m-20 -74.06 -32.54 63.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 10.9 tp -63.56 -62.16 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -32.34 69.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 19.6 ttm-85 -76.04 -20.67 57.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 2.8 m -75.37 -51.16 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 2.5 mm? -48.38 -30.76 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.29 -35.01 49.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.7 -174.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.647 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.01 -35.06 3.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.657 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.12 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.641 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.79 -62.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.08 -96.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -60.61 -52.07 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.657 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 1.4 tm0? -29.9 -61.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.526 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -41.26 -48.84 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -73.9 -30.28 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.482 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 20.0 mm-40 -67.12 -52.31 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.575 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.3 m -59.76 -54.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.53 -35.78 76.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 8.3 m-20 -57.45 -68.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -57.67 -55.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.4 mt -44.18 -29.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.5 mttm -83.26 -47.6 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.01 0.63 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' ILE . 19.0 m-80 -158.0 107.95 1.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.513 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -45.17 -36.84 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.521 ' CD1' ' CB ' ' A' ' 37' ' ' ASN . 44.1 mt -67.69 -54.14 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.49 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 0.6 OUTLIER -48.46 -49.21 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.01 -41.31 62.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.62 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 2.4 t80 -54.5 -54.37 41.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -49.41 -42.87 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.87 -40.82 94.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -45.71 81.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.589 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.2 ttt180 -61.14 -47.31 86.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.644 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -72.44 -20.46 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.07 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 5.6 tptt -93.54 -24.95 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.711 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.85 -49.49 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -39.79 -32.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.55 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 37.7 m-20 -61.23 -45.99 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -110.93 97.45 34.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.6 -65.4 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 5.1 t -70.86 164.8 24.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 10.1 t -140.9 36.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.24 32.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -0.19 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -117.36 12.6 13.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.49 ' CD ' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -137.43 -64.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.5 t-20 61.2 134.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 0.4 OUTLIER 156.31 167.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' B' ' 313' ' ' LYS . 6.8 tt0 -39.27 -59.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.459 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.87 -35.29 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -67.82 -33.57 75.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.4 mm? -64.33 -60.98 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' B' ' 313' ' ' LYS . 1.4 pp -61.69 -28.29 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.487 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 34.1 mm-40 -71.51 -28.17 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -73.45 -48.29 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.582 ' CD1' ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -67.95 -49.07 63.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 2.8 p -58.31 -41.71 81.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 7.4 t -59.15 -47.62 84.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -30.44 71.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.495 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 7.4 mt -64.15 -49.51 71.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -43.93 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.43 50.57 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.415 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.49 115.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 1.7 m-20 -84.19 -25.21 29.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.93 -20.14 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.436 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.3 OUTLIER -51.09 -31.45 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.9 OUTLIER -62.72 -39.22 93.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -47.81 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.43 51.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.17 -21.88 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.36 -52.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.463 ' CB ' ' HE3' ' B' ' 342' ' ' LYS . 15.1 m-20 -68.09 -16.29 63.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.436 ' CG ' HG21 ' B' ' 329' ' ' THR . 1.0 OUTLIER -43.24 -27.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -40.49 -62.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.432 HD11 ' NZ ' ' A' ' 51' ' ' LYS . 4.0 mm? -95.0 -19.31 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.59 -34.79 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.9 pp -127.85 15.14 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.521 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.91 -19.69 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.463 ' HE3' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -75.89 -14.9 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' A' ' 44' ' ' PHE . 4.0 mp -88.96 -47.69 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 1.3 p -67.75 -9.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.522 ' C ' ' O ' ' B' ' 344' ' ' VAL . 44.3 tt0 -28.96 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 147.17 -81.83 0.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.82 -42.62 3.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -99.52 -88.74 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.48 32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 162.87 170.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.405 HG12 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -156.01 -79.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.594 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -144.38 -92.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.7 OUTLIER 154.94 48.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.1 109.3 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER 55.1 93.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.6 m -34.55 95.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.511 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.2 Cg_endo -75.01 2.0 7.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -132.46 -41.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.02 -53.17 0.55 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.9 t -147.06 86.59 1.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.943 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.623 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -159.36 -54.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 6' ' ' ILE . 3.7 mmt180 -124.9 91.72 3.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OE1' ' A' ' 39' ' ' GLN . 37.1 m 67.45 -71.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.506 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER 176.41 144.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.05 135.9 87.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.07 4.18 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -101.55 -23.4 14.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -72.34 -56.42 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.563 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -46.23 -40.62 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' N ' HD23 ' A' ' 11' ' ' LEU . 3.6 mt-30 -63.98 -34.92 79.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' ALA . 28.8 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 44' ' ' PHE . 3.2 tp -66.09 -69.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -51.06 -39.15 55.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -62.51 -31.22 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' B' ' 323' ' ' LEU . 5.3 mt -72.53 -29.25 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' B' ' 322' ' ' PHE . 31.8 mmtt -53.08 -25.7 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.648 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.39 -173.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 -36.59 2.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.651 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.8 m 87.68 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.606 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 157.33 -61.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -98.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -61.92 -49.69 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.651 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.5 tm0? -30.75 -60.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.576 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -41.65 -51.07 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.576 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.85 -25.92 61.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 2.3 mm100 -67.96 -52.42 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -58.38 -51.63 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.14 -40.18 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -53.85 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -55.34 -53.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.29 -28.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 33' ' ' ILE . 15.3 mttm -87.4 -35.98 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' ILE . 73.0 m -85.67 1.85 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -163.41 105.01 0.97 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.67 -32.29 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' CG2' ' A' ' 6' ' ' ILE . 4.2 mm? -77.43 -49.7 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.93 -52.29 25.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.68 -41.85 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.9 -60.59 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CD2' HD12 ' A' ' 14' ' ' LEU . 2.8 t80 -57.42 -55.49 34.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -47.05 -34.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -74.57 -34.97 63.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.58 -45.28 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -70.44 -38.77 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.594 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.8 t -76.27 -20.76 57.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -9.86 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.1 tppm? -89.02 -25.32 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.671 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.51 -51.49 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.05 -32.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.08 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.6 m-20 -63.27 -45.24 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -112.49 95.11 30.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.62 42.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.51 -55.4 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 15.3 t 45.76 -160.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 14.5 t -168.44 30.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.432 ' HA ' ' CD ' ' B' ' 309' ' ' ARG . 0.5 OUTLIER -153.81 36.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -1.15 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -116.97 14.39 13.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' B' ' 306' ' ' VAL . 1.7 mpt_? -138.43 -64.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.9 t30 61.49 137.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 1.1 m-20 155.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -56.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.448 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.29 -35.56 79.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.64 -34.21 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' B' ' 311' ' ' ASP . 3.9 mm? -64.77 -61.71 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.596 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.6 OUTLIER -59.0 -31.63 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.43 -33.13 74.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -67.17 -46.57 73.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.35 -35.53 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.596 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 32.2 t -62.06 -54.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -45.69 90.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.461 ' CE2' ' NZ ' ' B' ' 326' ' ' LYS . 4.2 t80 -57.98 -32.04 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 18' ' ' LEU . 6.7 mt -72.54 -44.51 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -40.04 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -102.51 43.53 1.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.461 ' NZ ' ' CE2' ' B' ' 322' ' ' PHE . 0.7 OUTLIER -41.25 121.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 2.2 m-20 -73.87 -43.88 57.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.437 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.9 OUTLIER -46.6 -24.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.484 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 15.7 m -54.78 -47.79 73.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.2 OUTLIER -54.19 -29.77 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 -51.65 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.12 53.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 8.1 pt-20 -47.31 -22.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -77.88 -52.42 8.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -71.02 -15.69 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.484 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.4 OUTLIER -37.88 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.58 -51.06 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 37.0 mt -107.67 -14.24 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.431 ' O ' ' NZ ' ' B' ' 342' ' ' LYS . . . 73.87 -54.92 2.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.8 pp -96.7 19.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.464 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.3 OUTLIER -52.73 -27.35 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.475 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -70.59 -25.47 63.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 340' ' ' ILE . 2.5 mm? -77.91 -51.64 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 2.9 p -67.68 -11.96 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 344' ' ' VAL . 2.1 tt0 -34.66 -43.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 159.94 135.29 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -112.49 -84.6 1.39 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -113.56 -70.16 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.52 -89.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -136.88 -155.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -157.61 105.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' B' ' 353' ' ' SER . 0.1 OUTLIER 39.75 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 155.36 -47.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.0 126.48 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.71 75.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 2.7 m -43.11 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.482 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.0 3.62 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.517 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 22.5 ttt-85 -125.44 -46.17 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 163.98 -62.88 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.46 -53.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 62.77 137.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -46.4 163.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -62.87 -47.99 80.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.416 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -170.58 159.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.0 m -63.68 138.07 97.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.0 Cg_endo -75.07 -65.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' GLN . 3.4 m -37.19 -39.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.4 -29.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -66.18 -50.75 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -60.12 -30.47 69.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -73.26 -43.86 60.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 3.9 tt -59.78 -59.73 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -30.22 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 6.0 ttt180 -75.16 -21.38 58.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 29' ' ' GLN . 13.7 m -76.59 -52.87 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.537 HD22 ' CD2' ' A' ' 14' ' ' LEU . 2.4 mm? -47.88 -26.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mptp? -55.95 -36.96 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.589 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.27 -177.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -38.52 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 m 91.59 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.592 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.12 -60.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.592 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -102.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.94 -49.58 75.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 4.0 tm0? -32.99 -60.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.37 -48.83 3.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.78 -27.96 61.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mm100 -68.87 -51.55 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.558 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.07 -53.18 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.42 -32.29 73.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -59.21 -66.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -42.29 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -57.26 -27.14 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 9.6 mtmt -90.65 -36.55 14.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -73.87 -12.75 60.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 12.2 m-80 -153.34 105.99 2.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.2 tp-100 -58.06 -34.31 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.7 tm? -72.26 -48.97 38.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.556 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -56.08 -23.72 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.563 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.98 -40.26 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' B' ' 320' ' ' VAL . . . -67.59 -54.79 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CE1' HD22 ' B' ' 343' ' ' LEU . 2.5 t80 -56.14 -55.91 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.468 HD12 ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -49.05 -35.82 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -75.78 -33.22 60.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CB ' HD11 ' B' ' 323' ' ' LEU . 2.7 mm-40 -72.52 -46.69 53.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.6 -37.67 79.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -78.99 -21.57 46.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.18 -9.16 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 16.4 tppt? -89.7 -26.21 20.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.647 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.37 -52.89 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.27 -31.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -75.23 -57.12 4.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.4 m-20 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -113.61 92.84 25.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.58 33.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -52.18 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' B' ' 304' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' B' ' 305' ' ' THR . 15.3 t 37.34 -153.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.499 ' O ' ' CG1' ' B' ' 306' ' ' VAL . 0.7 OUTLIER -164.02 40.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 305' ' ' THR . 27.1 m -157.75 38.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -10.75 56.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -104.16 19.29 43.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' B' ' 306' ' ' VAL . 1.2 mpt_? -143.6 -60.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.522 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 4.6 t30 60.99 139.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.3 t70 154.23 166.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.1 tt0 -38.04 -56.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.413 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.29 -36.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.84 -32.35 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 10.9 mp -65.44 -62.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.557 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.33 -30.51 66.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.42 -34.98 76.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.66 -49.73 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -73.08 -42.48 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 21.1 t -53.23 -54.27 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.99 77.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -58.41 -31.51 67.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.559 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 4.6 mt -69.05 -45.79 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -53.37 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.79 49.25 3.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.559 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.0 OUTLIER -41.5 126.51 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 -35.5 43.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -47.3 -28.85 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.467 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.53 -32.38 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -58.34 -53.92 52.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 13.4 tp -78.66 -42.44 28.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -79.63 51.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 5.8 pt-20 -56.59 -21.71 28.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -83.43 -45.45 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' B' ' 337' ' ' ALA . 1.4 m-20 -72.44 -15.15 61.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' B' ' 329' ' ' THR . 0.0 OUTLIER -41.43 -27.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -37.77 -61.14 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.404 HD11 ' OD1' ' B' ' 341' ' ' ASP . 5.8 mp -96.96 -18.98 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.88 -45.81 3.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.506 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 2.0 pp -109.91 23.1 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.436 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.7 OUTLIER -52.48 -33.01 42.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.898 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -64.36 -21.07 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -81.37 -45.97 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' B' ' 345' ' ' GLN . 2.8 p -79.65 -4.55 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.531 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.9 tt0 -35.13 -46.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 156.56 99.51 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.4 23.89 28.98 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 85.65 85.81 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.42 70.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -174.49 71.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -168.13 114.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -48.7 -23.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.439 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.9 OUTLIER 54.72 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -53.31 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.3 mp -124.44 47.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.9 m 29.12 92.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.413 ' HB3' ' OD2' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -75.04 3.61 5.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.531 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -127.89 -67.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 152.01 71.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.9 t 85.46 78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -139.39 160.74 39.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -47.01 -62.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.58 -71.13 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.4 144.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m -68.48 149.91 97.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -67.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.5 m -33.79 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -59.48 -58.43 8.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.755 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.94 -31.28 28.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' N ' HD12 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.24 -33.05 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.02 -33.25 61.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD21 ' CD2' ' B' ' 319' ' ' LEU . 8.4 tt -66.09 -65.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.06 -34.09 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 18.4 ttt180 -73.5 -28.47 61.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.491 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -68.33 -46.16 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.519 ' CD2' HD22 ' A' ' 14' ' ' LEU . 3.4 mm? -53.94 -19.82 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 16.2 mmtm -63.34 -35.23 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.32 -178.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -34.8 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.8 p 89.49 84.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.6 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.99 -61.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.987 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.92 -102.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.6 mm-40 -61.14 -50.97 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.536 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.8 tm0? -32.59 -60.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.522 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -42.31 -48.2 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.522 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -73.25 -27.19 61.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' CB ' HG22 ' A' ' 17' ' ' THR . 7.3 mt-30 -68.5 -52.25 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.94 -52.0 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -32.23 73.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -60.18 -61.8 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -64.35 -62.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -38.39 -33.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 13.3 mttm -66.58 -53.43 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.2 m -94.18 16.82 13.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 40' ' ' LEU . 9.5 m-80 -134.58 87.25 32.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -50.02 -21.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.585 ' HB3' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -82.86 -46.47 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 13.6 ttt -59.18 -26.91 65.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.59 -42.21 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -60.94 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 47' ' ' GLN . 1.2 t80 -53.49 -57.54 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.464 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -46.65 -37.22 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.4 mmpt? -72.59 -34.07 67.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -70.34 -46.82 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 ptm180 -69.5 -44.47 71.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.604 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.4 t -71.78 -23.0 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -63.04 -9.86 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 9.7 tppt? -90.23 -25.89 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.66 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.46 -52.44 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.32 -33.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -65.19 -55.57 17.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 4.4 m-20 -68.46 -37.36 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.6 pp0? -113.73 95.03 35.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -170.46 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.34 54.57 0.39 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 111.023 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 5.2 t -65.73 -49.87 66.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' B' ' 306' ' ' VAL . 0.2 OUTLIER 59.4 79.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 309' ' ' ARG . 0.9 OUTLIER 167.87 -23.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -39.47 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -75.38 -2.52 68.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -120.92 -67.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.7 t30 61.47 130.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.5 OUTLIER 154.71 158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.535 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -38.86 -53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.327 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -62.49 -33.79 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -73.61 -27.3 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' B' ' 311' ' ' ASP . 11.0 mp -65.88 -61.39 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.557 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -63.73 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.4 mm-40 -63.76 -37.79 88.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.26 -50.0 69.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.523 ' CD2' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.13 -33.72 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 25.3 t -64.05 -54.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -43.15 71.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -66.75 -32.37 73.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' B' ' 319' ' ' LEU . 7.0 mt -68.97 -45.22 71.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -54.1 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.68 53.77 4.57 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.415 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 1.2 tppp? -45.69 117.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.98 56.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.413 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 15.5 tp10 -50.41 -31.73 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.484 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 29.0 m -54.98 -29.92 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -56.37 -53.6 55.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.72 -50.11 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.31 52.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.87 -23.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' B' ' 332' ' ' ALA . 1.8 tm? -77.32 -52.14 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 337' ' ' ALA . 0.6 OUTLIER -65.23 -16.47 63.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.484 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -44.4 -26.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -39.64 -61.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -94.7 -17.31 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 80.81 -49.88 4.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.9 pp -108.07 20.05 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.454 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.08 -27.75 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -71.91 -20.22 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' B' ' 340' ' ' ILE . 2.6 mm? -84.83 -47.84 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 5.8 p -73.75 -3.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.497 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -40.11 -42.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.44 ' HA3' HG12 ' B' ' 351' ' ' VAL . . . 159.41 135.32 1.83 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -106.94 -118.98 4.43 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -98.09 -60.87 0.91 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -71.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.88 -160.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.44 HG12 ' HA3' ' B' ' 346' ' ' GLY . 0.1 OUTLIER -136.28 -105.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.86 -3.58 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.42 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.1 OUTLIER 64.04 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -38.88 155.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.4 mt 41.39 63.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.2 m -37.53 98.25 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.45 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.97 4.93 4.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.497 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 40.0 ttt180 -121.94 -45.88 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 146.88 -36.22 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.8 t -169.49 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.959 -0.439 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -167.43 158.52 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 147.88 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 39.6 -148.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -176.51 154.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 m -60.43 140.57 91.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -53.66 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -38.42 -40.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -42.97 -31.1 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -62.28 -47.32 84.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.505 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.0 -32.66 73.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.54 -34.26 62.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' CD1' ' HG ' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -69.1 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.585 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.2 OUTLIER -51.86 -36.48 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -71.91 -35.9 69.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 m -59.32 -37.97 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' CD1' ' CD2' ' B' ' 319' ' ' LEU . 2.3 mt -72.05 -30.92 65.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' CD ' HD23 ' A' ' 15' ' ' LEU . 2.3 mptp? -51.68 -23.83 4.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.601 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -62.6 -176.76 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.07 -34.92 3.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.566 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.0 t 89.15 84.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.61 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.98 -101.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.43 1.753 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' GLN . 15.6 mt-30 -60.78 -50.72 72.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.01 -59.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -42.31 -50.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -72.26 -26.02 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.9 mt-30 -69.83 -52.53 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -58.58 -51.6 69.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.4 -31.7 72.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.3 m-20 -61.76 -68.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.41 -46.96 78.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.447 HD12 HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -53.68 -28.46 33.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -89.53 -50.48 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 24.1 m -74.39 0.56 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.2 m-80 -157.34 108.05 1.86 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -50.43 -40.11 49.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 6' ' ' ILE . 3.4 mm? -60.73 -53.53 56.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -50.98 -42.92 60.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.589 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.7 -48.93 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.7 t80 -54.54 -58.86 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.582 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.51 -38.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.2 mmpt? -66.28 -39.6 89.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' PHE . 15.3 mm-40 -67.55 -43.96 79.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.583 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -65.19 -44.7 87.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.642 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -68.79 -27.16 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -11.56 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.616 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -89.7 -28.59 19.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.699 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.76 -46.62 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -52.58 -26.4 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.37 22.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 87.9 m-20 -149.92 -48.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -86.12 123.89 71.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.36 6.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.4 -66.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' B' ' 305' ' ' THR . 1.8 t -134.06 -177.95 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.465 HG23 ' CG2' ' B' ' 306' ' ' VAL . 19.5 m -160.85 -70.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' B' ' 305' ' ' THR . 1.7 t -112.27 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.515 ' CD ' ' N ' ' B' ' 308' ' ' GLY . 2.0 pp20? -126.41 -51.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' B' ' 307' ' ' GLU . . . -108.57 31.51 7.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -118.73 -35.67 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.495 ' CB ' ' HB1' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -95.12 -77.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 4.9 t70 -177.97 -151.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 32.5 tt0 -57.1 -52.37 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.457 ' HE3' ' HB1' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.82 -33.82 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -64.0 -38.06 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.536 ' CD2' ' HA ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -62.61 -60.51 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.57 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -56.97 -28.93 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.25 -36.55 79.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.431 ' NE2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -62.34 -48.76 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.56 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.09 -41.31 67.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 25.3 t -56.47 -53.72 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -51.87 65.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.585 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -56.89 -31.89 65.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 18' ' ' LEU . 5.4 mt -67.28 -44.49 79.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -54.16 36.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.69 45.7 2.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.423 ' NZ ' HD23 ' B' ' 343' ' ' LEU . 4.3 tppp? -41.93 125.66 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -39.39 71.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.16 -23.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 32.4 m -66.37 -28.19 68.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.58 -38.01 80.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.79 -50.38 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.28 51.74 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -47.6 -23.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -52.32 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' B' ' 337' ' ' ALA . 4.6 m-20 -68.33 -16.03 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.466 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 66.8 ttt-85 -39.53 -28.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -48.0 -48.17 32.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 338' ' ' LEU . 0.9 OUTLIER -88.55 -30.61 19.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.475 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 72.65 -4.02 23.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.494 ' HB ' ' CD1' ' B' ' 343' ' ' LEU . 2.4 pp -156.41 21.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -54.98 -19.4 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -25.91 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.494 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 10.1 mt -84.04 -32.03 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.62 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -76.1 -14.92 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -30.91 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . 150.91 148.19 4.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . 0.426 ' O ' ' NH2' ' A' ' 48' ' ' ARG . . . 138.36 158.24 7.69 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.92 3.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.02 -50.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -174.5 -169.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 32.3 m -117.23 -132.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -123.1 -38.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 92.92 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.41 -70.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' B' ' 357' ' ' PRO . 13.5 mt -98.2 70.14 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.4 m -35.8 97.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.48 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.01 1.74 7.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.81 -42.64 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 116.26 78.22 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.501 ' O ' ' OG ' ' B' ' 360' ' ' SER . 4.4 p 83.08 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -136.21 114.67 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.98 122.88 6.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m 59.49 -176.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' CG1' ' HB2' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 173.92 140.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.7 m -67.72 148.42 98.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 9.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -101.63 -10.36 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.35 -63.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.84 -31.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.494 ' N ' HD21 ' A' ' 11' ' ' LEU . 5.0 mt-30 -75.35 -41.17 57.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -68.43 -68.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.75 -33.12 21.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 7.6 ttm180 -75.62 -28.7 58.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -68.25 -40.29 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' B' ' 323' ' ' LEU . 2.9 mm? -63.38 -30.89 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -51.27 -34.14 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.623 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.5 -175.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -35.39 3.16 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.779 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.621 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.1 m 88.74 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.634 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.23 -62.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.99 -95.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 31.1 mt-30 -59.67 -52.69 64.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.621 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.9 OUTLIER -30.16 -60.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -41.65 -49.57 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.542 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -73.28 -27.63 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.517 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 5.4 mm-40 -69.57 -53.82 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.558 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.02 -52.84 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.11 -69.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.765 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.86 -60.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -39.0 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 mtmp? -86.61 -53.36 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.8 m -77.11 -0.38 24.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 33' ' ' ILE . 7.1 m120 -142.65 98.91 5.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -29.06 8.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -77.71 -45.5 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 37' ' ' ASN . 3.8 mm? -60.87 -50.85 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.502 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 ptt? -48.52 -41.84 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -61.39 -46.44 90.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.97 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 2.6 t80 -58.65 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.1 -37.87 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.6 mmpt? -66.58 -40.67 89.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' B' ' 323' ' ' LEU . 0.9 OUTLIER -74.98 -23.81 58.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.519 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.24 -33.79 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t -87.67 -15.37 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -9.46 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -88.93 -25.24 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -109.01 -51.82 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.99 -32.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 1.2 m-20 -63.25 -46.61 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.1 pp0? -110.68 97.77 34.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 82.61 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.94 75.07 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.17 -38.51 12.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' B' ' 306' ' ' VAL . 5.4 t 45.22 -169.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' B' ' 305' ' ' THR . 30.1 m 46.92 24.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' B' ' 305' ' ' THR . 1.0 OUTLIER -91.85 -17.0 25.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -107.98 -8.56 29.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.447 ' NE ' ' OD1' ' B' ' 311' ' ' ASP . 0.0 OUTLIER -107.95 -59.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.547 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.5 t-20 60.9 139.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 1.3 m-20 151.59 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 22.9 tt0 -40.0 -55.14 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -61.27 -33.07 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -72.29 -30.44 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.504 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -65.2 -62.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.568 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 3.7 mm-40 -65.53 -34.88 79.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -66.1 -47.88 72.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.464 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -72.09 -33.88 68.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 32.4 t -64.07 -54.39 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -38.26 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -70.97 -31.7 68.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 18' ' ' LEU . 5.2 mt -70.45 -44.31 68.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -50.16 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.44 52.0 2.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.409 ' NZ ' HD22 ' B' ' 343' ' ' LEU . 2.6 tppp? -41.0 118.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.94 83.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.5 -30.76 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.472 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 55.1 m -51.37 -38.1 51.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.66 -46.59 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.1 tt -74.3 -44.76 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.46 51.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.0 -23.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -47.81 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 30.3 m-20 -70.33 -14.97 62.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.8 OUTLIER -34.46 -36.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.58 -62.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.458 ' N ' ' CD2' ' B' ' 338' ' ' LEU . 1.2 mm? -99.23 -16.32 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.47 ' O ' ' CE ' ' B' ' 342' ' ' LYS . . . 69.33 -52.03 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.445 ' O ' HD11 ' B' ' 340' ' ' ILE . 2.5 pp -97.76 20.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.486 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 3.0 t0 -52.53 -19.19 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.47 ' CE ' ' O ' ' B' ' 339' ' ' GLY . 0.2 OUTLIER -77.18 -27.77 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.409 HD22 ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mm? -78.38 -45.76 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 7.4 p -73.25 -4.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 3.6 tt0 -41.4 -46.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . 147.89 -98.9 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.18 11.9 74.82 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' B' ' 349' ' ' LEU . . . 158.82 -69.98 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' B' ' 348' ' ' GLY . 0.2 OUTLIER 165.17 78.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -156.25 52.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' B' ' 346' ' ' GLY . 0.7 OUTLIER -131.49 168.86 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.86 52.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.419 ' C ' ' O ' ' B' ' 352' ' ' LEU . 20.6 m 37.4 -99.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER 42.24 -162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER -41.32 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.5 m -35.23 96.49 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.487 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.2 Cg_endo -75.09 4.08 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.492 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 5.6 ttp85 -123.89 -41.67 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 139.67 -42.41 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 6.1 t -158.93 88.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 6.8 t30 80.86 -56.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.67 139.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -44.51 -86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.483 ' CD1' HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -173.42 148.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -70.25 140.84 88.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -18.79 18.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -82.76 -39.91 21.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . -51.09 -60.66 2.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -42.54 -53.19 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' N ' HD11 ' A' ' 11' ' ' LEU . 26.7 mt-30 -55.5 -44.91 77.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 2.3 m-20 -59.74 -32.71 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD2' ' HG ' ' B' ' 319' ' ' LEU . 7.0 tt -69.16 -59.46 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' CD1' ' B' ' 322' ' ' PHE . 1.5 tm? -53.39 -39.04 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.19 -24.95 57.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.07 -31.31 65.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' B' ' 323' ' ' LEU . 3.8 mt -75.75 -23.41 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.49 -21.51 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.628 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -58.6 -175.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -34.23 4.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.565 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.0 t 86.82 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.626 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.02 -62.16 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.3 mt-30 -60.66 -51.94 67.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.565 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 9.2 tm0? -30.77 -60.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -43.72 -50.73 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.2 mt-30 -71.61 -24.02 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 4.8 mt-30 -70.21 -50.62 38.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.533 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.39 -51.5 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -64.33 -33.3 75.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.5 m-20 -58.65 -59.32 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -67.54 -60.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -35.69 -34.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.8 mttm -64.74 -53.51 46.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' ILE . 43.1 m -100.58 23.69 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.636 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.6 m-80 -128.53 90.09 47.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 6' ' ' ILE . 18.5 Cg_endo -74.98 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' CB ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -70.96 -19.85 62.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -85.07 -55.23 4.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.562 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -49.13 -49.09 43.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.38 -41.69 66.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.19 -60.59 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.59 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 2.4 t80 -54.98 -56.27 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -46.38 -43.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.44 -33.54 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.6 mm100 -68.63 -39.02 80.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.59 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -72.14 -46.23 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 t -67.33 -26.76 66.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.77 -11.26 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -89.87 -26.46 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.69 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.12 -36.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -62.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.9 m-80 -62.31 -51.63 66.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -108.84 100.3 38.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.39 -62.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' B' ' 305' ' ' THR . 0.7 OUTLIER -134.99 -167.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' B' ' 304' ' ' THR . 9.1 t -149.13 -172.63 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.435 HG22 ' CA ' ' B' ' 314' ' ' ALA . 11.1 m 41.99 28.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' B' ' 305' ' ' THR . 11.0 pt-20 -68.04 -45.71 73.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -82.19 9.82 56.14 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.865 ' HE ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -120.54 -66.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.8 t30 61.26 144.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 1.9 m-20 151.02 164.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.8 OUTLIER -38.49 -56.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.865 ' NZ ' ' HE ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -64.1 -31.79 73.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -69.3 -33.21 72.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.4 mm? -64.82 -61.65 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.559 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 1.6 pp -59.47 -31.73 69.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -68.24 -32.78 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.422 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 1.8 tt0 -66.82 -44.48 81.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -76.45 -39.84 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.559 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 41.9 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.86 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.685 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -57.88 -29.64 65.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 18' ' ' LEU . 5.8 mt -71.01 -46.24 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.13 -52.41 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.21 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.093 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.685 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 7.1 tppt? -45.57 129.26 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -24.64 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.15 -25.6 33.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -41.09 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.77 -64.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.42 -45.96 90.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.41 50.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 7.9 pt-20 -54.79 -22.15 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -37.23 24.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 337' ' ' ALA . 9.4 m-20 -76.49 -16.25 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' B' ' 333' ' ' GLU . 1.5 mtm180 -39.15 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.02 -53.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.457 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 3.8 mm? -110.2 -10.2 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.36 -53.85 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' B' ' 343' ' ' LEU . 2.4 pp -114.66 21.46 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 1.1 t0 -46.94 -41.84 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -52.62 -32.78 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.54 -27.74 45.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.61 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 2.2 t -85.35 -10.04 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 12.4 pt20 -36.45 -43.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.446 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . 179.56 -80.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 71.31 45.91 45.16 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 111.63 31.19 2.82 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 4.8 tt 56.59 78.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.39 112.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 19.6 m -139.5 -136.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.565 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -132.75 25.78 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.438 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.5 t 36.6 39.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.19 144.0 29.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER 40.1 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' B' ' 359' ' ' GLY . 5.1 m -37.21 97.75 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.469 ' HB2' ' N ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -75.03 -10.85 21.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.519 ' CG ' ' HB2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -111.13 -31.41 7.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.477 ' O ' ' CG2' ' B' ' 356' ' ' VAL . . . 147.21 -70.52 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.445 ' C ' ' CD2' ' B' ' 361' ' ' LEU . 1.4 t -119.85 -64.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.11 165.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -68.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -99.27 -71.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.49 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER 171.72 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.444 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 69.6 m -92.94 136.41 24.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -89.27 -35.84 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' OD1' ' A' ' 37' ' ' ASN . . . -53.19 -57.56 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -39.15 -49.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -45.57 77.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.3 m-20 -67.2 -28.61 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -62.28 -72.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -32.77 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -72.24 -24.37 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -78.46 -41.83 31.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD13 ' CE2' ' A' ' 44' ' ' PHE . 3.2 mm? -62.16 -18.33 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' SER . 32.1 mttt -65.61 -34.38 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.57 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.97 -177.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.98 -34.58 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.757 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.548 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.35 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 164.15 -61.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -104.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' GLN . 11.5 mt-30 -59.69 -48.84 80.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.548 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 1.0 OUTLIER -33.32 -59.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.4 pt20 -42.67 -48.77 5.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.1 mt-30 -73.64 -26.04 60.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' CB ' HG22 ' A' ' 17' ' ' THR . 6.6 mt-30 -71.4 -53.03 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.528 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.3 m -56.69 -50.45 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.55 -30.97 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.6 m-20 -60.67 -51.32 69.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.53 -41.02 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -60.36 -29.7 69.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.7 ptpt -88.11 -33.2 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -88.82 -1.66 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.9 m-80 -155.41 108.64 2.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' HB3' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.87 -39.96 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD2' HG23 ' A' ' 6' ' ' ILE . 4.5 mm? -65.98 -50.31 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.524 ' HA ' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -50.95 -38.56 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.7 -45.27 73.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.94 -57.02 6.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' CE2' HD13 ' A' ' 18' ' ' LEU . 5.3 t80 -54.57 -55.54 28.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -50.48 -39.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.94 -15.97 60.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.1 ttm180 -91.75 -26.56 18.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 11.3 t -95.61 -15.66 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.4 -13.86 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 6.7 tmtt? -87.55 -27.74 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.78 -45.67 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -54.37 -16.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -106.45 24.2 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.573 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 29.8 p30 -164.55 21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 52' ' ' TYR . 12.8 pt20 -131.93 118.88 16.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 81.4 2.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . . . -45.29 -65.03 2.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' GLY . 3.9 mtm . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.401 ' O ' ' O ' ' B' ' 305' ' ' THR . 1.0 OUTLIER -78.29 -35.2 48.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' B' ' 306' ' ' VAL . 5.5 t 44.98 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' B' ' 305' ' ' THR . 28.5 m 46.74 24.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' B' ' 308' ' ' GLY . 9.3 pt-20 -83.68 -37.89 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' B' ' 307' ' ' GLU . . . -93.8 3.98 71.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.438 ' HD2' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -117.01 -68.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.0 t30 61.66 131.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.2 OUTLIER 156.88 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.3 tt0 -39.16 -54.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.452 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.93 -34.6 77.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -70.36 -31.95 69.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.3 mm? -64.24 -61.15 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.567 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -58.97 -31.96 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 11.3 mm-40 -68.92 -31.75 70.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -67.17 -46.93 72.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -76.3 -31.21 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 8.8 t -65.16 -55.86 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -42.82 99.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.4 OUTLIER -62.1 -31.59 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.496 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 4.7 mt -71.72 -42.23 67.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.07 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.58 53.25 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 0.6 OUTLIER -42.68 113.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 7.3 m-20 -77.48 -26.31 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 7.5 tp10 -55.25 -18.57 6.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -37.85 72.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -54.75 -34.26 62.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -90.44 -54.49 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -79.77 53.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.22 -22.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.98 -52.45 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' B' ' 337' ' ' ALA . 45.0 m-20 -68.99 -16.87 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.26 -56.34 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.543 ' CD1' ' CE ' ' A' ' 51' ' ' LYS . 13.0 mt -109.07 -9.65 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.43 -59.23 3.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.559 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.4 pp -92.06 9.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' B' ' 357' ' ' PRO . 0.5 OUTLIER -53.84 -19.68 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -82.12 -18.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.3 OUTLIER -85.27 -45.75 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.525 ' O ' ' CG1' ' B' ' 351' ' ' VAL . 3.5 p -71.68 -7.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -30.14 -47.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 179.0 143.79 5.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 133.55 98.29 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 114.74 81.71 1.0 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.81 72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.431 ' C ' ' CG2' ' B' ' 351' ' ' VAL . 2.7 m-20 40.3 47.45 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER 39.65 -101.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.591 HD23 ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -133.22 3.61 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.452 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.5 OUTLIER 61.92 -71.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.7 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.1 mm? 44.46 65.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.4 m -37.25 97.69 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.455 ' HB3' ' OD1' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -74.96 5.51 3.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.502 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 1.3 tmt_? -134.64 -67.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.18 66.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 89.78 76.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -153.05 86.98 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -179.07 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -88.78 14.7 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER 78.37 170.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 6' ' ' ILE . 11.1 m -92.65 135.71 26.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 4.01 5.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -102.67 -11.36 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -76.88 -57.15 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -44.13 -28.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.639 ' N ' HD21 ' A' ' 11' ' ' LEU . 27.2 mt-30 -71.41 -39.85 70.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . 57.9 m-20 -73.8 -27.95 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -64.97 -68.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -33.1 62.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.5 ttm180 -74.18 -24.93 59.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -72.57 -39.07 67.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.3 mm? -64.64 -27.89 69.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.8 mptm? -53.65 -36.46 62.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.49 -178.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -33.32 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.591 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 t 87.98 83.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.598 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.94 -61.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.99 -100.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' GLN . 5.0 mt-30 -61.58 -51.34 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.591 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -31.69 -60.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -42.01 -49.98 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.73 -26.21 61.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' GLN . 8.0 mt-30 -68.96 -51.06 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.55 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.42 -52.6 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.55 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.91 -35.94 77.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.9 m-20 -58.83 -69.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.42 -56.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -91.1 -44.59 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -74.92 2.41 10.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.3 m-80 -163.56 114.26 1.01 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.48 -43.94 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD12 ' CA ' ' A' ' 11' ' ' LEU . 4.1 mm? -57.29 -51.74 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' ILE . 9.9 ttt -50.31 -42.97 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.7 -37.95 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -61.14 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' B' ' 343' ' ' LEU . 3.4 t80 -60.27 -56.58 19.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.78 -48.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -59.88 -43.17 94.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' NE2' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -59.55 -47.09 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' B' ' 343' ' ' LEU . 0.2 OUTLIER -62.67 -49.64 74.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -68.44 -19.74 64.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.16 -9.16 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 15.0 tppt? -93.16 -23.82 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.674 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.44 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -38.78 -31.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.89 -57.61 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.0 m-20 -62.9 -51.56 66.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -111.69 96.95 35.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 90.69 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.06 75.24 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 12.3 t -59.91 -48.91 79.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 307' ' ' GLU . 12.2 m 71.57 -59.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.5 ' CG2' ' HB2' ' B' ' 309' ' ' ARG . 7.7 p -68.48 67.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 305' ' ' THR . 2.1 pp20? -104.0 -31.83 9.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -83.93 10.63 59.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.5 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -118.63 -68.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.2 t30 61.66 133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 1.3 m-20 151.38 164.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 3.2 pt-20 -35.35 -61.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.1 OUTLIER -59.5 -40.47 87.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -59.12 -40.45 85.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.506 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.04 -48.67 80.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.587 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -67.91 -36.99 81.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' B' ' 321' ' ' SER . 2.8 mm-40 -55.91 -36.34 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -71.63 -49.82 36.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.21 -58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.587 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 4.1 m -48.91 -38.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.9 t -63.06 -55.21 27.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -31.12 71.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.1 mt -68.67 -44.02 74.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -49.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.18 49.36 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.434 ' NZ ' HD13 ' B' ' 343' ' ' LEU . 3.4 tppp? -41.21 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -27.86 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -24.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.38 -27.22 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.77 -47.48 86.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -53.12 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.413 ' CB ' ' OD1' ' B' ' 335' ' ' ASP . . . -80.19 51.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -48.98 -22.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -52.12 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' B' ' 337' ' ' ALA . 35.6 m-20 -65.28 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -30.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.26 -61.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.42 -12.75 19.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.5 -52.77 3.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.8 pp -106.6 19.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.489 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -56.89 -17.44 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -5.27 57.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 44' ' ' PHE . 3.5 mp -99.8 -40.71 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' B' ' 351' ' ' VAL . 1.4 p -74.56 -3.65 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' B' ' 344' ' ' VAL . 3.5 pt20 -35.65 -34.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . -179.29 130.7 1.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . 0.416 ' HA2' ' NH2' ' A' ' 48' ' ' ARG . . . -129.07 -128.55 3.07 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -92.12 -73.06 1.23 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.76 49.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.32 -177.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 1.2 m -93.17 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.55 -12.63 16.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.412 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 13.7 t -44.3 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -48.76 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.47 ' O ' ' CG1' ' B' ' 356' ' ' VAL . 6.1 mp -82.17 -102.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' B' ' 359' ' ' GLY . 5.8 m -159.57 104.83 1.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.412 ' HG3' ' CB ' ' B' ' 353' ' ' SER . 18.4 Cg_endo -75.01 3.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.564 1.823 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.522 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 7.1 ttt180 -126.31 -46.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' B' ' 356' ' ' VAL . . . 164.92 -64.02 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.63 -51.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.522 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.84 -53.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -112.35 160.28 17.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -43.4 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -167.91 168.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -89.43 132.22 37.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.03 3.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 m -102.11 -19.37 15.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -75.27 -54.91 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -46.12 -40.12 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' N ' HD23 ' A' ' 11' ' ' LEU . 5.3 mt-30 -62.92 -35.2 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.8 m-20 -72.41 -32.32 66.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' CD2' ' HG ' ' B' ' 319' ' ' LEU . 19.1 tp -64.12 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.8 33.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.3 ttm180 -74.95 -24.95 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.506 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -74.53 -51.22 15.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.0 mm? -48.75 -31.26 6.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.6 mptp? -53.07 -33.27 51.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.626 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.5 -174.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.626 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.95 -37.0 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.654 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 88.84 84.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.62 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.67 -62.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -97.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.1 tt0 -60.55 -50.71 72.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.654 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.3 tm0? -31.18 -61.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -41.72 -49.75 4.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.0 mt-30 -72.87 -26.0 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 2.6 mm100 -69.94 -51.3 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -59.66 -52.24 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.07 -35.05 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.4 m-20 -58.07 -66.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -59.01 -58.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -41.41 -30.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 33' ' ' ILE . 12.0 mttm -84.28 -46.53 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.459 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -75.43 -0.17 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 12.6 m-80 -159.69 109.9 1.47 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -45.08 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 14' ' ' LEU . 2.8 tm? -55.93 -49.88 72.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' ' 45' ' ' ILE . 14.5 ttt -56.76 -41.92 78.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.23 -46.53 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -61.88 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.528 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 3.2 t80 -53.79 -57.55 10.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -46.85 -39.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.5 mmpt? -66.48 -34.66 78.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 tm0? -68.57 -45.16 72.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.558 ' NE ' ' HA ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -64.29 -40.61 96.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.644 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.5 t -74.0 -22.48 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -12.36 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 10.9 tppt? -87.17 -24.47 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -108.31 -52.9 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.54 -30.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.65 -53.29 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -66.09 -40.76 91.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.34 95.82 32.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.7 14.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.1 44.45 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 5.2 t -63.83 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' B' ' 305' ' ' THR . 1.1 t -176.31 34.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' B' ' 307' ' ' GLU . 12.1 m -118.69 -37.58 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -35.37 114.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 117.42 -27.97 7.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.775 ' HE ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -111.82 -63.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 4.7 t30 60.02 147.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 4.1 m-20 151.87 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.526 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 1.6 tt0 -39.94 -55.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.775 ' NZ ' ' HE ' ' B' ' 309' ' ' ARG . 0.1 OUTLIER -60.78 -33.97 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -71.19 -29.98 65.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mm? -65.9 -61.02 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -63.36 -26.72 68.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -71.44 -32.06 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -70.94 -51.3 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.577 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -65.13 -51.46 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.514 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 3.4 p -59.15 -37.07 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 2.1 m -57.92 -51.13 70.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -30.95 71.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.518 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 11.1 mt -61.78 -46.42 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -46.52 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.14 50.56 1.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.421 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 0.8 OUTLIER -41.66 118.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.32 -31.16 43.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -46.43 -35.98 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 1.3 m -50.4 -29.0 9.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.47 -56.04 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -30.17 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.67 49.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 9.7 pt-20 -55.07 -21.54 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.29 -39.38 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' B' ' 337' ' ' ALA . 4.5 m-20 -78.76 -17.05 56.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 2.0 mtt180 -38.24 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.2 -62.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.421 ' CD1' ' HD2' ' A' ' 51' ' ' LYS . 1.5 mm? -99.32 -15.9 18.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.7 -48.47 3.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.479 ' HB ' ' NH2' ' A' ' 48' ' ' ARG . 2.2 pp -113.98 15.48 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.46 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -53.68 -21.91 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -14.56 61.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -89.16 -45.92 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' B' ' 345' ' ' GLN . 2.2 p -74.47 -3.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.8 tt0 -28.57 -44.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 139.67 -165.33 25.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.409 1.068 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.11 -140.2 18.26 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -73.3 81.14 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 0.3 OUTLIER 172.46 -33.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 0.5 OUTLIER 81.83 163.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.363 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' B' ' 361' ' ' LEU . 0.7 OUTLIER -133.45 -173.08 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -151.36 53.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.1 t 39.06 -151.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER 61.75 122.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.4 mt 39.9 45.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.686 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.0 m -12.23 109.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.471 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 -0.88 10.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.481 ' HG2' ' CG ' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -120.53 -78.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.556 ' C ' HG22 ' B' ' 356' ' ' VAL . . . -171.69 -37.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 16.3 p -163.06 88.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.534 ' CD2' HG23 ' B' ' 351' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.87 -56.14 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 61.85 134.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.6 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.546 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -178.36 142.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -71.9 141.12 84.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.96 7.78 2.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -102.04 -19.25 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -74.92 -54.19 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' CD1' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -47.52 -40.45 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -65.53 -34.81 79.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' CB ' HG23 ' A' ' 33' ' ' ILE . 78.6 m-20 -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -62.52 -69.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.566 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.31 -32.57 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 24.5 ttt-85 -70.79 -26.49 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -75.01 -48.3 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.491 ' CD1' HD23 ' B' ' 323' ' ' LEU . 3.9 mm? -51.31 -21.93 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' SER . 35.3 mmtt -60.23 -36.84 78.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.564 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.86 -177.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -32.22 5.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 85.99 84.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.611 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.04 -100.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 14.7 mt-30 -61.4 -52.83 62.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.558 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -30.38 -60.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -41.27 -49.4 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -73.62 -28.04 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 5.4 mm-40 -68.46 -52.53 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.564 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.3 m -57.43 -53.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.04 -37.09 83.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 9.6 m-20 -56.57 -67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -55.66 -55.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -43.42 -29.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.8 mtmt -86.72 -36.37 18.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.4 t -83.82 0.16 48.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -160.62 109.01 1.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -46.81 -31.63 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' CD2' HG23 ' A' ' 6' ' ' ILE . 4.0 mm? -75.58 -48.05 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.479 ' CG ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -50.33 -46.2 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.11 -40.66 70.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.63 -61.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -54.94 -55.28 32.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.438 HG21 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -48.7 -42.26 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.22 -39.94 92.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -44.68 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -61.64 -47.82 83.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.5 t -72.74 -20.87 61.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.88 -8.96 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -91.88 -26.15 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.72 -51.0 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.09 -31.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.2 -50.0 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -70.41 -51.6 28.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.1 pt20 -112.52 95.27 31.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.59 21.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.33 -77.0 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.412 ' CB ' ' HG2' ' B' ' 318' ' ' GLN . 7.0 t -151.41 -176.19 5.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.508 ' O ' ' CG1' ' B' ' 306' ' ' VAL . 1.1 t -150.08 22.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' B' ' 305' ' ' THR . 8.6 m -160.63 -117.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.523 ' O ' ' N ' ' B' ' 309' ' ' ARG . 2.7 mt-10 67.96 137.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 35.92 29.31 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -132.9 -43.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 0.6 OUTLIER -92.32 -50.14 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.38 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 7.9 m-20 150.41 -173.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.518 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 13.9 tt0 -47.12 -52.5 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -49.58 -32.83 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.464 ' CA ' ' HE3' ' B' ' 313' ' ' LYS . . . -69.15 -35.36 76.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.25 -60.03 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.556 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.6 OUTLIER -62.32 -32.92 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 36.6 mm-40 -67.94 -30.5 69.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' B' ' 318' ' ' GLN . 2.0 tm0? -67.39 -48.7 66.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.58 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.54 -33.73 62.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 24.4 t -65.29 -55.22 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 2.2 t -57.56 -46.18 84.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.71 -30.59 70.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 18' ' ' LEU . 6.6 mt -67.61 -45.76 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -46.78 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.19 45.49 2.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.419 ' NZ ' HD13 ' B' ' 343' ' ' LEU . 3.2 tppp? -40.97 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -71.11 -32.94 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.435 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 4.2 tp10 -50.7 -29.48 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.468 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 2.4 m -50.46 -26.72 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.16 -61.86 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -50.23 71.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.03 53.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.0 -22.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -51.04 11.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -16.9 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 61.2 ttt180 -44.97 -25.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -42.06 -62.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.426 HD11 ' N ' ' B' ' 338' ' ' LEU . 10.6 mp -92.67 -21.16 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.22 -7.71 50.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.8 pp -146.36 16.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.434 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.5 OUTLIER -53.49 -23.63 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.475 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -73.38 -22.07 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 18' ' ' LEU . 94.2 mt -81.93 -45.5 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' B' ' 345' ' ' GLN . 6.1 p -75.96 -2.57 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.518 ' C ' ' O ' ' B' ' 344' ' ' VAL . 5.8 tt0 -29.45 -46.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 149.6 84.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.77 89.46 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -124.07 41.22 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.32 21.4 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.08 136.66 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 4.6 m -135.27 -142.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -123.97 43.91 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.46 ' C ' ' O ' ' B' ' 352' ' ' LEU . 7.6 t 34.5 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER 50.97 99.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.52 95.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.587 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -55.12 108.25 1.11 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' B' ' 345' ' ' GLN . 18.4 Cg_endo -75.03 2.62 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.516 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -125.78 -63.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.523 ' N ' HG21 ' B' ' 356' ' ' VAL . . . 165.97 -38.02 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 44.9 t -154.9 81.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -173.44 97.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 58.12 95.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p -88.33 -56.67 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 179.1 140.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.525 ' O ' HD12 ' A' ' 11' ' ' LEU . 60.2 m -52.12 128.51 39.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 13.08 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 7' ' ' SER . 48.8 m -102.32 -9.56 20.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.61 -63.96 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.602 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -40.94 -33.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' N ' HD21 ' A' ' 11' ' ' LEU . 1.6 pt20 -70.83 -44.56 66.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ALA . 92.0 m-20 -69.94 -29.61 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD23 ' CD1' ' B' ' 319' ' ' LEU . 6.2 tt -63.5 -69.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.92 -29.46 60.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.0 ttm-85 -74.46 -24.84 59.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.514 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -78.56 -45.75 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' B' ' 322' ' ' PHE . 2.6 mt -49.55 -25.68 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -58.85 -23.79 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.642 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -60.04 -173.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.652 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 88.0 84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.65 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.5 OUTLIER 161.67 -63.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.05 -95.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -60.11 -52.78 63.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.652 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -29.9 -62.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -41.92 -49.85 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.83 -26.71 61.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.514 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 3.6 mt-30 -71.04 -54.68 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 1.3 m -57.18 -51.95 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.537 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.45 -33.79 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 2.7 m-20 -60.03 -68.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -55.65 -52.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.08 -30.85 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -85.74 -36.86 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -78.75 -4.84 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.494 ' HB3' ' CD1' ' A' ' 6' ' ' ILE . 12.7 m-80 -162.15 111.39 1.14 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -45.76 -33.22 2.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -69.49 -46.21 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -58.35 -35.06 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.32 -43.81 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -61.05 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' ARG . 3.3 t80 -53.42 -56.67 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -48.85 -37.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -66.41 -42.56 87.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' CD ' ' CG2' ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.51 -19.69 59.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.5 ttt180 -88.6 -29.47 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 13.5 t -95.29 -13.3 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.44 8.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' CB ' HD12 ' B' ' 340' ' ' ILE . 0.7 OUTLIER -90.38 -24.54 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.651 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -106.53 -49.2 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -47.17 -32.45 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -61.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.1 m-20 -57.55 -49.99 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.22 82.82 14.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.82 24.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.92 -58.94 3.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 111.01 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' B' ' 304' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.51 ' CB ' ' O ' ' B' ' 303' ' ' PRO . 0.6 OUTLIER 83.17 157.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.43 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.535 ' O ' ' CG2' ' B' ' 305' ' ' THR . 2.0 m -145.22 43.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' B' ' 314' ' ' ALA . 8.2 m -152.27 29.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -12.12 60.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -106.06 21.57 33.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.425 ' NE ' ' HA ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -146.45 -60.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.539 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 10.7 t-20 61.11 138.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.22 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 4.5 m-20 152.88 163.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.9 tt0 -40.81 -56.1 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -59.07 -31.83 69.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -74.64 -32.63 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.22 -62.06 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.532 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -60.08 -49.88 75.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.5 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 5.0 mm-40 -43.23 -40.58 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.69 -42.54 77.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.591 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -66.02 -57.48 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.591 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -55.19 -44.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -56.71 -40.53 75.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -75.1 -32.07 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 47' ' ' GLN . 6.7 mt -61.18 -46.61 89.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -54.37 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.78 47.92 3.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -40.86 119.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -37.89 55.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.8 OUTLIER -45.83 -25.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.0 m -50.69 -26.27 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.445 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.41 -71.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.51 72.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.86 51.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.11 -22.63 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -76.89 -28.78 55.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.498 ' N ' HD23 ' B' ' 334' ' ' LEU . 4.0 m-20 -81.15 -18.17 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.21 -32.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -41.73 -60.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' B' ' 355' ' ' LEU . 0.3 OUTLIER -103.06 -12.19 17.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.6 -55.27 2.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 51' ' ' LYS . 1.7 pp -101.6 12.42 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER -55.3 -18.59 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -78.09 -8.77 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 2.6 mt -94.92 -45.42 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' B' ' 345' ' ' GLN . 1.4 p -69.17 -7.55 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -32.17 -38.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 158.57 -174.81 35.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 70.21 145.76 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 69.59 95.87 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 0.0 OUTLIER 72.62 -77.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 2.2 m-20 157.55 175.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.569 ' CG1' HD21 ' B' ' 361' ' ' LEU . 1.0 OUTLIER -94.45 168.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.562 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.31 65.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.448 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.7 m 35.88 -141.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.5 OUTLIER 69.36 -169.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -38.93 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 354' ' ' LYS . 3.7 m -38.63 99.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -74.97 2.98 6.01 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.483 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -132.45 -49.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 162.64 -43.72 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.422 ' N ' HD13 ' B' ' 361' ' ' LEU . 38.5 p -156.8 90.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.569 HD21 ' CG1' ' B' ' 351' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.56 98.69 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -145.73 163.38 35.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -89.14 -59.19 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -169.07 155.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.0 m -57.69 132.38 82.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -17.63 19.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -88.3 -32.22 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . . . -58.29 -55.98 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -40.13 -46.41 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -58.9 -42.9 90.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 10' ' ' ALA . 68.5 m-20 -62.58 -29.75 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 44' ' ' PHE . 27.7 tp -65.83 -61.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -58.34 -33.74 69.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 14.2 ttt180 -76.92 -21.73 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 13' ' ' ASP . 1.5 m -76.37 -45.6 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD23 ' CE1' ' A' ' 44' ' ' PHE . 3.9 mm? -62.29 -16.28 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' SER . 6.2 mmtp -70.36 -33.1 71.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.41 -178.75 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -31.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.86 84.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.605 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.84 -60.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -101.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.7 mt-30 -61.86 -52.31 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.552 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -30.78 -61.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -42.05 -49.82 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.5 mt-30 -72.87 -28.07 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' GLN . 7.2 mt-30 -67.1 -52.13 45.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -59.76 -51.84 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.05 -33.09 74.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 15.8 m-20 -64.69 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -53.54 -46.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' HB2' ' A' ' 41' ' ' MET . 0.4 OUTLIER -56.96 -28.21 62.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -89.68 -50.12 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -4.14 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.5 m-80 -157.71 105.99 1.79 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB2' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.29 -26.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.547 ' CD1' ' CB ' ' A' ' 37' ' ' ASN . 34.4 mt -76.7 -55.1 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.6 ttt -47.52 -43.23 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.06 -45.6 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -54.48 13.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' CE1' HD23 ' A' ' 18' ' ' LEU . 26.6 t80 -58.58 -56.85 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -48.58 -39.91 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.558 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.1 mmpt? -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' OE1' ' CG1' ' B' ' 320' ' ' VAL . 36.5 tp60 -77.45 -19.29 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -83.45 -31.08 26.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.63 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.7 t -101.18 -11.1 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.61 -15.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.5 ' CE ' HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.64 -27.98 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.735 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.88 -53.93 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.39 -26.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -69.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -61.47 -39.04 89.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -127.17 80.31 71.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' CA ' ' O ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.99 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.56 -43.88 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' B' ' 305' ' ' THR . 0.6 OUTLIER 49.89 -173.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.439 ' N ' ' CG2' ' B' ' 304' ' ' THR . 4.8 p -149.95 -179.36 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' B' ' 305' ' ' THR . 25.9 m 43.63 39.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -88.79 -16.07 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -98.94 15.57 60.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.505 ' CD ' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -137.25 -56.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.6 t30 61.13 141.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 6.6 m-20 151.34 166.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.539 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 3.0 tt0 -38.85 -60.79 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.43 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.41 -33.03 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -69.34 -33.57 73.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 11' ' ' LEU . 4.1 mm? -64.14 -61.36 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.571 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.57 -32.36 68.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 -34.53 78.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.04 -35.12 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 94.1 t -69.02 -44.87 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.8 t -67.42 -43.91 80.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.52 -40.36 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.409 HD21 ' NZ ' ' B' ' 326' ' ' LYS . 8.5 mt -66.01 -47.98 72.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.68 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -106.01 49.19 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.518 ' HB2' ' CG2' ' B' ' 340' ' ' ILE . 1.8 tppp? -40.11 131.53 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -86.86 -30.61 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -48.64 -22.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.432 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.06 -31.5 13.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.41 -41.08 93.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.83 -49.48 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.428 ' CB ' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.4 -22.72 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.23 -53.5 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 13.5 m-20 -69.34 -14.11 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -38.6 -29.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -34.43 -62.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.66 -24.16 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.75 -19.16 12.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.569 ' HB ' ' CD2' ' B' ' 343' ' ' LEU . 2.5 pp -140.83 16.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.613 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -64.33 -9.85 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -90.96 -10.94 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.569 ' CD2' ' HB ' ' B' ' 340' ' ' ILE . 0.2 OUTLIER -97.88 -16.63 19.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.613 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 0.6 OUTLIER -97.95 -7.35 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.51 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 8.0 pt20 -33.54 -36.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 161.8 137.92 2.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -153.04 30.62 0.8 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 349' ' ' LEU . . . 95.04 57.71 1.21 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' B' ' 348' ' ' GLY . 2.1 mt 58.82 113.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.0 t0 172.57 -36.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 1.0 OUTLIER -41.43 146.77 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.635 HD11 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -59.4 -12.31 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.517 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.3 OUTLIER 84.12 -60.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -39.16 137.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.43 -165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 1.1 m -135.23 96.77 13.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.505 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.04 1.27 7.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.53 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.3 OUTLIER -128.61 -75.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 172.88 78.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 92.81 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.53 ' CD1' ' HB3' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 0.9 OUTLIER 70.14 -62.4 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.52 154.34 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -70.93 -71.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.0 156.96 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.39 129.91 80.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -12.15 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -81.12 -32.4 33.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -57.27 -62.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' CD1' HD22 ' B' ' 315' ' ' LEU . 0.3 OUTLIER -40.21 -52.58 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.62 -42.41 74.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ALA . 90.2 m-20 -67.02 -29.4 69.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 33' ' ' ILE . 12.8 tp -63.93 -70.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -31.34 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 20.3 ttm180 -75.35 -23.57 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -76.15 -49.5 17.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.083 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.0 mm? -51.23 -22.15 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.6 mptp? -60.62 -35.21 75.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.572 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.37 -178.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -25.13 12.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.598 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 5.2 m 77.98 84.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.058 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.616 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 163.86 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.616 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -102.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.6 tt0 -59.99 -48.88 79.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.598 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 6.6 tm0? -33.2 -58.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -43.07 -49.74 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.1 mt-30 -72.53 -25.32 61.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 11.3 mt-30 -69.28 -50.54 45.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -61.76 -51.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.88 -33.69 74.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -60.21 -69.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.92 -51.23 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -50.06 -29.34 8.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.0 mtmm -90.04 -43.76 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -73.04 -3.49 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 33' ' ' ILE . 16.8 m-80 -160.72 107.04 1.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.481 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.3 tp60 -51.14 -17.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 37' ' ' ASN . 2.8 tm? -79.7 -51.42 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -52.98 -26.42 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -49.38 -43.57 44.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -61.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' GLN . 8.0 t80 -57.15 -57.7 11.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.23 -50.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.39 -40.69 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -73.58 -43.99 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.648 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.4 t -76.12 -18.66 59.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.07 -10.71 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -94.74 -26.95 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.703 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.52 -49.96 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.21 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.33 -58.98 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.52 -49.98 60.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -117.09 82.9 14.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.29 42.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' MET . . . 155.68 -53.98 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 6.1 t -92.6 -158.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.477 ' O ' ' CG2' ' B' ' 305' ' ' THR . 1.3 t -176.34 35.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' B' ' 314' ' ' ALA . 28.5 m -134.79 10.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -62.96 -25.5 68.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -106.45 -3.23 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.528 ' NE ' ' NZ ' ' B' ' 313' ' ' LYS . 0.1 OUTLIER -115.77 -70.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.1 t-20 62.75 133.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.3 OUTLIER 155.01 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 15.9 tt0 -34.71 -59.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.528 ' NZ ' ' NE ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -57.37 -42.89 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -60.64 -39.81 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 11' ' ' LEU . 11.1 mp -55.49 -44.03 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.689 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.14 -33.87 61.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 3.5 mt-10 -64.25 -28.73 69.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.77 -51.2 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.2 -47.96 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.689 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 89.8 t -54.94 -53.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.8 m -51.91 -51.31 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.84 -30.63 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.463 ' CD1' ' HG3' ' A' ' 47' ' ' GLN . 5.7 mt -67.46 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -52.99 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.63 50.78 4.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 0.7 OUTLIER -43.26 124.91 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.747 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.47 -38.0 74.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.73 -31.95 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.4 -30.24 11.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.33 -50.26 74.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 17.9 tp -77.96 -49.13 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.542 ' CB ' ' NZ ' ' B' ' 342' ' ' LYS . . . -81.01 49.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -53.27 -22.74 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.48 -52.02 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 1.0 OUTLIER -71.29 -14.4 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' B' ' 337' ' ' ALA . 7.0 ttm180 -38.23 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -36.09 -61.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.407 ' O ' HG13 ' B' ' 340' ' ' ILE . 2.2 mm? -79.87 -30.74 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.24 8.36 58.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.535 ' O ' ' HG ' ' B' ' 343' ' ' LEU . 2.7 pp -155.93 21.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.59 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -68.15 -2.01 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.542 ' NZ ' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -89.31 -41.1 12.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 340' ' ' ILE . 2.2 pp -72.53 -11.12 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.59 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 1.6 p -116.36 -4.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.519 ' O ' ' HB2' ' B' ' 358' ' ' ARG . 0.8 OUTLIER -31.71 -48.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.483 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 94.18 81.95 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -80.82 51.27 4.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.68 -59.71 0.54 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 172.12 86.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.91 34.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -130.11 -170.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.652 ' CD1' ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.64 45.71 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 29.16 51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.437 ' HB2' ' CD2' ' B' ' 352' ' ' LEU . 0.3 OUTLIER -94.76 103.49 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' B' ' 356' ' ' VAL . 1.4 mm? 43.37 31.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.5 m 43.09 94.84 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.459 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.97 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.519 ' HB2' ' O ' ' B' ' 345' ' ' GLN . 4.1 ttp85 -120.19 -67.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 149.41 67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 89.68 76.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -139.4 155.88 47.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 69.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -155.96 -150.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -167.05 161.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.575 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -72.3 131.43 84.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 6.96 3.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -101.35 -9.39 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.08 -61.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -46.29 -30.44 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.526 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.4 mt-30 -70.98 -38.66 72.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ALA . 3.0 m-20 -76.87 -29.5 55.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD22 ' CD2' ' A' ' 18' ' ' LEU . 5.2 tt -62.7 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -62.35 -35.94 80.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.2 ttt-85 -71.99 -18.79 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.489 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -77.62 -49.69 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.556 ' CD2' HD22 ' A' ' 14' ' ' LEU . 4.1 mm? -48.66 -26.51 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -56.09 -37.5 69.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.574 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.2 -178.21 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.91 -32.3 5.64 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.573 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.6 m 85.86 82.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 164.31 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -74.99 -102.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 tt0 -60.78 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.573 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 7.4 tm0? -32.43 -59.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.566 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.73 -50.16 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.566 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.16 -26.25 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.489 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 7.7 mt-30 -67.66 -51.33 51.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.2 m -60.08 -50.8 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -63.03 -37.34 86.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 36' ' ' SER . 3.7 m-20 -54.53 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -63.24 -47.53 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.39 -33.93 45.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -92.53 -26.23 18.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.3 t -86.83 -2.39 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 33' ' ' ILE . 14.2 m-80 -162.62 111.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.02 -66.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.547 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.7 tt0 -45.62 -32.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 3.1 tm? -74.33 -41.9 60.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 45' ' ' ILE . 8.2 ttt -58.21 -36.08 72.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.58 -38.34 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' CZ ' ' NH1' ' A' ' 48' ' ' ARG . 3.6 t80 -60.7 -55.93 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -40.71 -49.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.68 -42.99 97.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PHE . 20.2 mm-40 -54.31 -45.33 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.539 ' NH1' ' CZ ' ' A' ' 44' ' ' PHE . 1.9 mmp_? -72.53 -45.5 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.603 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -59.7 -28.5 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.13 -12.34 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.65 -33.14 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.707 ' CD1' ' CD1' ' B' ' 352' ' ' LEU . 0.1 OUTLIER -96.71 -25.21 15.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -73.4 -28.95 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.63 62.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 30.9 m-20 -110.4 -44.75 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 7.2 pt20 -124.49 91.59 49.27 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 129.78 12.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.24 75.27 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 4.8 t -77.66 -34.85 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 40.37 56.27 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' B' ' 314' ' ' ALA . 8.8 p -175.09 43.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.37 0.59 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -116.29 4.59 19.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.526 ' CD ' ' N ' ' B' ' 309' ' ' ARG . 0.1 OUTLIER -118.26 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.0 t-20 61.35 131.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' B' ' 314' ' ' ALA . 1.1 t70 151.87 166.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.4 tt0 -37.34 -60.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.74 -34.07 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -70.93 -30.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 311' ' ' ASP . 11.0 mp -66.19 -62.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.568 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.0 OUTLIER -58.83 -31.86 68.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 28.4 mm-40 -64.8 -37.7 88.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.19 -45.06 86.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -71.09 -39.8 71.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 53.8 t -59.16 -52.17 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -42.96 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.567 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.481 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.3 mt -72.63 -35.8 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -46.15 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.24 50.16 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.567 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.2 OUTLIER -42.6 113.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -38.32 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.419 ' O ' ' OE1' ' B' ' 328' ' ' GLU . 0.1 OUTLIER -46.29 -36.14 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.78 -31.3 16.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -55.01 -66.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -52.55 64.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.434 ' HB1' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.37 52.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.46 -22.56 3.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -52.32 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.468 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 4.7 m-20 -62.42 -14.77 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' B' ' 329' ' ' THR . 0.1 OUTLIER -42.4 -26.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.45 -43.97 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.553 ' CD1' ' NZ ' ' A' ' 51' ' ' LYS . 1.6 mt -110.17 -19.68 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.24 -53.96 1.86 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.492 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -105.75 20.06 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 0.0 OUTLIER -58.56 -11.61 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.585 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 3.3 mppt? -87.86 -25.84 23.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.485 HD12 ' CZ ' ' A' ' 48' ' ' ARG . 1.1 mp -83.56 -41.49 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 52' ' ' TYR . 7.1 p -75.06 -10.61 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.515 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.3 OUTLIER -29.02 -46.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 154.63 -150.64 22.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 139.93 -12.02 3.11 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -174.3 -90.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.33 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 16.8 t0 176.02 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.431 ' HB ' HG21 ' B' ' 344' ' ' VAL . 28.3 m -50.92 163.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.707 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -72.7 89.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' B' ' 356' ' ' VAL . 2.9 p -43.42 -33.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -49.12 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.2 OUTLIER -69.48 60.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 353' ' ' SER . 7.6 m -38.38 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.03 2.45 6.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.513 ' CG ' ' CG ' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -119.97 -46.35 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 165.14 -62.37 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 1.7 t -134.37 -50.51 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 179.02 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.19 -46.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -126.94 -72.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.941 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 177.13 170.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 11' ' ' LEU . 5.5 m -89.77 132.93 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.02 2.65 6.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.1 p -103.13 -11.2 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -77.18 -56.53 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -44.23 -26.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.595 ' N ' HD21 ' A' ' 11' ' ' LEU . 20.9 mt-30 -73.71 -40.14 63.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.6 m-20 -76.55 -29.67 56.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD2' ' HG ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -65.93 -64.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.04 -33.48 67.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 9.6 ttm-85 -73.82 -28.3 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.453 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -66.92 -41.3 87.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.4 mm? -61.63 -22.02 64.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 5.3 mmtt -60.76 -37.96 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.55 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.55 -178.82 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.575 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 m 86.38 83.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.591 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.64 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -102.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.65 -49.07 79.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.575 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.0 tm0? -33.26 -59.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.555 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 5.0 pt20 -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 tt0 -72.47 -26.7 61.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.5 mt-30 -71.06 -53.92 12.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -55.91 -50.29 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.78 -31.57 72.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' SER . 5.1 m-20 -61.43 -58.18 9.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.69 -43.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -56.82 -32.33 65.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.6 ptpt -92.07 -31.0 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASN . 51.9 m -86.15 -1.18 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.567 ' N ' ' O ' ' A' ' 33' ' ' ILE . 20.3 m-80 -163.24 113.42 1.03 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.7 tp60 -47.59 -32.94 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 10' ' ' ALA . 1.2 mm? -68.8 -54.74 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.0 tmm? -52.62 -39.98 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -48.91 -45.79 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' B' ' 316' ' ' LEU . . . -68.14 -61.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' B' ' 343' ' ' LEU . 4.5 t80 -53.14 -56.57 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -47.54 -43.42 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -59.63 -40.68 88.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -67.41 -45.05 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.0 mtm180 -60.39 -52.5 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.652 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.4 t -68.02 -24.18 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.385 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.11 -9.45 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.7 tptt -92.25 -27.47 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.37 -50.8 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.51 -35.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.8 -59.05 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 65.5 m-20 -62.07 -47.65 83.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.8 99.74 50.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.7 42.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.65 74.49 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.496 ' CG2' ' OE1' ' B' ' 318' ' ' GLN . 9.1 t -66.32 -136.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.431 ' N ' ' OG1' ' B' ' 304' ' ' THR . 0.2 OUTLIER -146.47 161.41 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.445 HG21 ' N ' ' B' ' 307' ' ' GLU . 29.4 m 42.07 -140.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.445 ' N ' HG21 ' B' ' 306' ' ' VAL . 0.0 OUTLIER 71.72 152.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 35.28 35.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -148.18 -50.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.48 ' CB ' ' HB1' ' B' ' 314' ' ' ALA . 2.1 m-80 -86.79 -79.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' B' ' 314' ' ' ALA . 17.1 t70 -174.64 -179.1 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.1 tt0 -41.94 -53.23 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -48.78 -33.23 9.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -71.89 -35.35 69.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -59.21 -61.52 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.542 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.41 -37.67 75.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 14.4 mm-40 -57.12 -33.4 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.543 ' HG2' ' N ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -71.69 -46.15 59.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.543 ' N ' ' HG2' ' B' ' 318' ' ' GLN . 0.2 OUTLIER -71.76 -56.34 5.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.542 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 3.7 m -50.44 -39.84 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.5 m -60.29 -54.5 44.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.67 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.557 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 3.0 mt -70.14 -37.75 75.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.66 -51.93 58.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.59 53.4 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.557 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -41.21 118.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -39.68 68.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.78 -24.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 3.9 m -51.45 -37.59 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -49.63 76.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.52 -50.87 41.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.458 ' CB ' ' HE2' ' B' ' 342' ' ' LYS . . . -79.83 52.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 14.7 pt-20 -51.68 -22.36 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.84 -35.74 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.474 ' CB ' ' HE3' ' B' ' 342' ' ' LYS . 1.8 m-20 -78.56 -14.61 59.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.37 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.0 -63.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.449 ' CD2' ' OD1' ' B' ' 341' ' ' ASP . 8.3 mp -93.55 -23.17 18.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.86 -6.69 32.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.47 HD13 ' CG ' ' A' ' 51' ' ' LYS . 2.6 pp -155.58 22.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.449 ' OD1' ' CD2' ' B' ' 338' ' ' LEU . 0.1 OUTLIER -49.7 -30.55 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.474 ' HE3' ' CB ' ' B' ' 335' ' ' ASP . 0.3 OUTLIER -61.58 -29.26 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 44' ' ' PHE . 2.9 mp -79.4 -25.56 42.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.601 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -88.51 -6.36 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.469 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 8.8 tt0 -36.57 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 177.04 -132.74 2.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 153.36 -83.67 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.05 -71.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -59.06 3.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 170.03 -176.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 18.4 m -96.71 -161.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -100.85 -8.37 22.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.3 OUTLIER 84.04 -56.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' B' ' 353' ' ' SER . 1.5 ttmt -40.65 109.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 66.21 79.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.452 ' CG1' HD21 ' B' ' 361' ' ' LEU . 5.7 m -39.86 101.18 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.43 6.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.501 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER -116.71 -34.34 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 133.64 -53.14 0.8 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 22.7 t -150.56 93.49 1.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 0.793 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.599 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 60.64 159.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 60.63 150.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m 47.32 -168.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -152.72 158.61 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.51 148.14 98.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.554 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -65.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -34.86 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -60.97 -58.47 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.761 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.64 -32.73 52.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.529 ' N ' HD12 ' A' ' 11' ' ' LEU . 4.9 mt-30 -74.47 -31.06 62.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -74.25 -32.36 62.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD2' ' CD2' ' B' ' 319' ' ' LEU . 1.1 tp -68.21 -60.39 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -52.64 -38.34 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.6 ttm180 -76.45 -23.2 53.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.505 HG22 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD21 ' CD2' ' B' ' 323' ' ' LEU . 3.3 mt -63.73 -25.3 68.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 3.9 mptp? -59.0 -24.89 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.649 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -58.51 -173.75 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.04 -36.54 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.604 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 89.42 74.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 171.7 -62.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.983 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -95.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -57.36 -52.39 65.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.604 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 36.1 tp60 -28.48 -62.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.544 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -42.46 -49.74 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -72.66 -27.18 61.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.505 ' CB ' HG22 ' A' ' 17' ' ' THR . 1.9 mt-30 -72.3 -54.5 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 1.3 m -55.7 -49.83 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.617 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.93 -32.1 73.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' SER . 1.9 m-20 -59.42 -59.08 6.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -68.71 -44.38 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.58 -31.93 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.617 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -93.38 -28.23 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASN . 50.9 m -89.25 1.2 56.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.1 m-80 -163.16 111.89 1.03 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.04 -68.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.507 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 43.0 tp60 -45.88 -27.46 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 3.3 tm? -74.91 -53.68 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -54.21 -26.98 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -60.81 -40.5 92.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.45 -56.25 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' B' ' 343' ' ' LEU . 2.7 t80 -58.94 -57.54 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.494 HD12 ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -47.13 -35.35 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.5 mmmt -75.65 -32.66 60.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.5 tp60 -72.62 -46.96 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.61 -37.33 79.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.603 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.8 t -77.43 -20.21 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -10.58 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.62 -29.31 20.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.695 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -102.84 -53.66 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.437 ' O ' ' CA ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -41.16 -27.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.14 -69.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -60.65 -38.94 86.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.512 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -126.85 80.07 71.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.01 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.44 59.9 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.976 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' B' ' 305' ' ' THR . 9.9 t -174.64 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.436 ' N ' ' CG2' ' B' ' 304' ' ' THR . 0.8 OUTLIER 39.67 39.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' B' ' 318' ' ' GLN . 21.9 m -156.25 25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -34.53 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -89.69 1.06 80.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.537 ' CZ ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -123.66 -64.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.4 t30 63.03 150.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 8.0 m-20 150.38 159.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.546 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 74.5 tt0 -37.83 -54.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.537 ' NZ ' ' CZ ' ' B' ' 309' ' ' ARG . 0.1 OUTLIER -63.96 -36.5 84.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -67.47 -29.01 68.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 311' ' ' ASP . 10.9 mp -66.93 -61.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.581 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -62.19 -31.63 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -68.48 -35.13 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 16.3 tt0 -64.13 -50.96 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.483 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.74 -34.48 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.581 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 4.9 t -61.45 -55.0 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -43.29 79.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.585 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -64.33 -32.68 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.472 ' CD2' HD21 ' A' ' 18' ' ' LEU . 5.5 mt -68.11 -45.23 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -41.56 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.48 45.36 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.9 OUTLIER -41.68 124.2 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 13.5 m-20 -76.8 -33.67 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -32.42 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.5 OUTLIER -67.5 -33.97 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -53.87 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.446 ' CB ' ' CE ' ' B' ' 342' ' ' LYS . . . -80.29 53.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.424 ' HG3' ' CD2' ' B' ' 334' ' ' LEU . 16.2 pt-20 -47.54 -23.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.424 ' CD2' ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -74.82 -49.34 21.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -66.2 -14.38 61.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' B' ' 335' ' ' ASP . 5.8 tmm_? -35.9 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -50.16 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.403 ' O ' HG13 ' B' ' 340' ' ' ILE . 0.9 OUTLIER -86.65 -29.71 22.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.46 -0.13 43.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.447 HD13 ' CG ' ' A' ' 51' ' ' LYS . 2.5 pp -156.08 22.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -52.1 -20.4 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.446 ' CE ' ' CB ' ' B' ' 332' ' ' ALA . 2.4 mptt -73.68 -25.79 60.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 44' ' ' PHE . 2.0 mp -88.12 -14.82 37.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.61 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -95.32 -4.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' B' ' 345' ' ' GLN . 4.2 pm0 -39.2 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 344' ' ' VAL . . . -172.64 -80.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 86.29 -120.63 5.48 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -63.13 -52.02 50.69 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.67 129.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.4 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.21 174.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.574 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -120.15 -5.47 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 14.8 t -50.31 -179.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.055 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -31.87 10.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.02 -99.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.43 ' CG1' HD21 ' B' ' 361' ' ' LEU . 2.2 m -156.71 108.26 1.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.3 Cg_endo -74.98 2.9 6.11 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.504 ' CB ' HD13 ' B' ' 361' ' ' LEU . 0.8 OUTLIER -121.19 -51.32 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 154.9 -47.28 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 85.2 p -155.09 86.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.21 171.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.5 mmt-85 -42.8 151.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -41.55 -58.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -174.15 159.25 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.443 ' O ' HD12 ' A' ' 11' ' ' LEU . 6.1 m -75.49 129.19 82.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 10.78 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -102.26 -10.75 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -80.96 -60.22 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.658 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.63 -32.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' N ' HD21 ' A' ' 11' ' ' LEU . 26.3 mt-30 -73.88 -41.09 62.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 40.7 m-20 -69.63 -28.06 65.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -65.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.559 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.04 -39.86 43.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.5 ttm105 -70.01 -28.98 65.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.55 -40.8 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' CD2' HD23 ' B' ' 323' ' ' LEU . 3.5 mt -63.87 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 11.1 mmtt -52.96 -22.97 6.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.691 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 p -60.3 -171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.691 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -74.98 -35.16 3.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.655 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 85.2 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.631 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -62.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -96.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.7 mt-30 -60.98 -52.13 66.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.655 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 4.0 tm0? -29.21 -62.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -40.64 -50.65 3.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -73.16 -28.65 62.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.9 mt-30 -67.71 -54.01 22.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -57.58 -53.91 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.54 -35.57 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.8 m-20 -60.2 -69.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.57 -60.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.05 -29.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.7 mttm -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.9 m -72.28 -8.09 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 11.2 m-80 -158.98 96.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.03 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.7 tt0 -45.26 -23.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' CD1' HD23 ' A' ' 14' ' ' LEU . 3.4 tm? -83.96 -45.5 13.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -49.91 -24.33 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.45 -38.7 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.89 -61.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 1.4 t80 -57.53 -56.72 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.481 ' O ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -42.21 -46.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.6 mmmt -63.7 -38.74 92.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -62.42 -49.98 73.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.527 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.12 -35.47 80.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.623 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -76.48 -18.25 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.387 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -9.13 12.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 13.6 tptt -92.43 -23.04 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -109.06 -51.18 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.03 -32.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -62.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 7.6 m-20 -54.48 -46.81 73.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 94.41 30.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.79 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.16 77.16 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.492 ' CG2' ' HG3' ' B' ' 307' ' ' GLU . 9.0 t 39.31 -160.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' B' ' 304' ' ' THR . 2.2 p -159.63 157.38 29.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.536 HG12 ' CE ' ' B' ' 313' ' ' LYS . 98.0 t 67.29 12.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.492 ' HG3' ' CG2' ' B' ' 304' ' ' THR . 0.0 OUTLIER -44.38 147.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 85.71 -25.7 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.476 ' HB3' ' CG1' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -103.54 -56.92 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.594 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.4 t-20 56.69 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 4.0 m-20 148.99 162.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.553 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 1.2 tt0 -36.89 -57.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.536 ' CE ' HG12 ' B' ' 306' ' ' VAL . 0.0 OUTLIER -61.99 -36.85 82.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -65.68 -35.5 80.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.503 ' CB ' ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -60.1 -62.03 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.2 OUTLIER -58.38 -42.9 88.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 25.4 mm-40 -46.38 -41.7 13.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.59 -35.93 68.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.58 -47.01 57.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -65.52 -37.79 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -66.54 -46.25 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -31.14 72.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.487 HD23 ' CD2' ' A' ' 18' ' ' LEU . 10.6 mt -68.42 -45.63 72.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -46.98 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.23 52.33 1.08 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -41.57 107.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -28.3 66.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.26 -25.38 47.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 2.7 m -56.69 -38.75 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.84 -47.42 84.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.69 -48.28 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' B' ' 335' ' ' ASP . . . -79.83 54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.411 ' HG3' ' CD1' ' B' ' 334' ' ' LEU . 12.1 pt-20 -46.45 -23.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' B' ' 332' ' ' ALA . 11.1 mp -77.47 -45.43 25.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' B' ' 332' ' ' ALA . 0.4 OUTLIER -70.73 -16.63 62.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 1.4 tmm_? -42.24 -27.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -47.12 -61.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.45 ' CA ' ' HE2' ' A' ' 51' ' ' LYS . 5.4 mp -95.14 -23.3 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.15 -17.44 17.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.589 ' CD1' ' CG2' ' B' ' 344' ' ' VAL . 2.4 pp -152.55 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 0.0 OUTLIER -47.9 -35.54 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -60.69 -29.5 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -80.35 -35.4 35.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.596 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -75.96 -3.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.543 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 9.7 pt20 -42.56 -30.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 171.42 -103.26 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 82.6 50.16 4.84 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 115.37 22.66 4.74 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 5.8 tp 58.32 82.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 9.1 t0 177.89 104.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.1 144.83 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.553 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -110.35 -8.61 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.419 ' O ' ' O ' ' B' ' 352' ' ' LEU . 15.5 t -45.55 171.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -99.66 -31.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.99 -108.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' B' ' 361' ' ' LEU . 12.0 m -147.07 103.67 3.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -74.98 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.543 ' CG ' ' HB2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -117.78 -70.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 153.83 71.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.0 t 86.2 80.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -130.44 174.65 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -40.27 9.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -77.2 -111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 176.77 151.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 m -61.13 151.58 74.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.584 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -22.38 -51.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -43.81 -64.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.38 -34.75 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.56 ' N ' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -70.57 -28.8 65.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' ALA . 70.8 m-20 -75.19 -32.52 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.14 -60.53 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -56.96 -34.45 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 29.8 ttt180 -75.3 -25.11 57.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -71.56 -36.56 70.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' B' ' 323' ' ' LEU . 1.7 mm? -66.6 -31.14 71.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 28.7 mmtt -52.34 -33.31 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -51.35 -175.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.3 p 90.48 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 159.75 -62.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.68 -51.46 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.649 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 6.8 tm0? -30.77 -61.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.3 pt20 -43.13 -49.93 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.4 mt-30 -72.31 -25.37 61.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.9 mt-30 -69.61 -51.17 37.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.85 -52.06 66.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.41 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.9 m-20 -58.97 -60.35 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.42 -59.8 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -38.32 -34.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.3 mttm -61.77 -53.71 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ILE . 58.4 m -101.76 21.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 m-80 -121.92 89.47 48.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.434 1.755 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.8 tp60 -81.04 -15.29 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -78.9 -54.69 5.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 24.4 ptt? -57.04 -28.09 62.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.39 -44.82 45.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.5 -60.85 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.1 t80 -54.51 -56.71 16.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -46.96 -36.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.608 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -73.23 -32.73 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 mm-40 -71.76 -48.0 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.8 ptt180 -67.28 -43.37 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.626 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -71.77 -26.33 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -61.54 -11.53 11.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.09 -27.44 21.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CD1' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.42 -52.54 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.09 -36.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -65.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.535 HD22 ' NZ ' ' A' ' 51' ' ' LYS . 25.3 m-20 -57.52 -47.87 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.4 pp0? -113.11 94.4 30.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.57 11.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.21 75.27 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.29 162.26 12.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.464 ' OG1' ' NH2' ' B' ' 309' ' ' ARG . 9.0 t -150.78 118.49 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.39 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' B' ' 310' ' ' ASN . 0.2 OUTLIER 170.56 -32.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -10.47 5.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -104.45 -0.46 43.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.549 ' CD ' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -139.0 -63.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.617 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 37.6 t30 64.73 127.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.617 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 0.1 OUTLIER 146.4 160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 4.4 tt0 -32.82 -59.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -56.7 -46.13 81.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -54.84 -41.16 70.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' B' ' 312' ' ' GLU . 3.9 mm? -57.81 -43.32 85.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.6 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 2.4 mt -71.7 -32.36 67.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' B' ' 321' ' ' SER . 4.1 mt-10 -63.59 -32.88 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -50.06 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -69.38 -56.78 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.6 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 71.4 t -48.94 -54.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -50.42 -54.18 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.551 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.94 -30.79 70.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 47' ' ' GLN . 5.1 mt -65.43 -48.01 74.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.74 -54.36 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -83.3 48.55 4.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.441 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 1.6 tppp? -44.42 130.71 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.99 -35.96 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.407 ' C ' ' NZ ' ' B' ' 342' ' ' LYS . 0.5 OUTLIER -61.21 -15.0 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 21.8 m -67.71 -32.46 73.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.05 -56.71 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.67 -50.8 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -79.92 52.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.83 -22.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' B' ' 332' ' ' ALA . 31.3 mt -77.57 -51.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -63.82 -16.59 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -30.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -45.52 -48.0 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.498 ' CD1' ' OD2' ' B' ' 341' ' ' ASP . 13.4 mt -106.75 -13.8 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.7 -55.8 1.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -101.29 18.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.498 ' OD2' ' CD1' ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.84 -19.2 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.407 ' NZ ' ' C ' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -83.27 -12.45 56.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' B' ' 340' ' ' ILE . 2.3 mm? -94.61 -15.11 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.545 HG12 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -100.14 -12.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.438 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 15.3 tt0 -36.94 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 142.04 145.11 4.45 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -145.36 -44.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -145.68 46.47 0.77 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.97 83.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.23 81.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.552 ' O ' ' C ' ' B' ' 352' ' ' LEU . 13.7 m -134.52 88.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.668 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER 28.83 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.5 m 152.0 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -56.96 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' B' ' 356' ' ' VAL . 24.6 mt -68.92 63.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' B' ' 359' ' ' GLY . 3.8 m -39.61 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.535 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.98 -3.94 14.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.501 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.13 -33.93 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.521 ' O ' ' CG2' ' B' ' 356' ' ' VAL . . . 148.84 -68.72 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.411 ' C ' ' CD2' ' B' ' 361' ' ' LEU . 94.8 p -122.43 -61.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 60.02 102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -148.94 -173.9 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p -67.6 -154.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -156.85 152.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.407 ' O ' HG21 ' A' ' 6' ' ' ILE . 3.5 m -60.83 153.9 61.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.537 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' GLN . 4.2 m -33.28 -38.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -44.1 -32.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -67.65 -43.58 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.598 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.25 -40.42 71.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 18' ' ' LEU . 4.4 tt -67.08 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' B' ' 322' ' ' PHE . 0.2 OUTLIER -51.53 -33.0 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttt180 -76.01 -32.94 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' A' ' 14' ' ' LEU . 2.7 m -56.75 -39.84 74.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD22 ' CE2' ' A' ' 44' ' ' PHE . 3.7 mm? -63.0 -29.73 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 13.3 mmtp -53.01 -34.0 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.636 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -52.26 -174.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.02 -36.76 2.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.64 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.94 82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.647 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.37 -63.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.94 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.1 mt-30 -59.84 -52.17 66.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.64 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -29.95 -61.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -42.22 -49.78 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.484 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 6.4 mt-30 -69.83 -53.04 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.531 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.29 -51.63 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.531 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.59 -33.63 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 2.1 m-20 -57.83 -64.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.694 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -63.23 -59.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -40.5 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 33' ' ' ILE . 9.2 mttm -74.8 -54.44 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 68.8 m -95.11 18.88 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.694 ' N ' ' O ' ' A' ' 33' ' ' ILE . 20.8 m120 -151.16 92.77 3.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.74 -42.58 62.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.62 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 19.4 mt -63.19 -55.47 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ILE . 11.1 ttt -50.43 -41.75 53.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.52 -46.9 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.53 -55.62 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.55 ' CE2' HD22 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -56.0 -59.58 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -44.58 -50.81 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.26 -36.17 82.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' NH2' ' CD1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.17 -51.42 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.668 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.2 t -66.07 -15.63 63.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -7.63 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.3 tppm? -94.0 -24.98 17.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.715 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.82 -50.21 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.57 -38.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.78 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 m-20 -68.38 -52.96 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.51 95.73 33.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.9 28.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.81 -50.55 1.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.496 ' HA ' ' CG ' ' B' ' 318' ' ' GLN . 2.4 t -159.79 145.11 15.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 1.6 t -119.95 -33.95 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' B' ' 314' ' ' ALA . 15.1 m -139.08 90.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 309' ' ' ARG . 0.7 OUTLIER -114.96 -136.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.484 ' N ' ' CG ' ' B' ' 307' ' ' GLU . . . -32.67 -33.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -44.94 -43.47 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 0.768 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.548 ' CB ' ' CB ' ' B' ' 314' ' ' ALA . 1.4 m-80 -111.62 -167.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.9 OUTLIER -78.74 174.77 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 23.3 tt0 -46.72 -37.27 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -52.41 -30.92 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.548 ' CB ' ' CB ' ' B' ' 310' ' ' ASN . . . -76.62 -32.57 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' B' ' 315' ' ' LEU . 0.7 OUTLIER -57.84 -60.26 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' B' ' 312' ' ' GLU . 0.2 OUTLIER -64.51 -50.47 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 15.3 mm-40 -43.06 -37.83 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.496 ' CG ' ' HA ' ' B' ' 304' ' ' THR . 5.6 tm0? -72.01 -45.72 59.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.485 HD23 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.44 -51.82 46.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.421 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 1.4 m -56.96 -40.82 74.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.7 m -59.12 -49.45 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -68.42 -32.31 72.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.504 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 3.9 mt -66.61 -47.37 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -54.29 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.46 56.09 2.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.84 124.36 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.29 -38.27 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -51.97 -20.89 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.406 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 2.6 m -53.36 -31.55 45.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.73 -60.35 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -51.46 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -79.66 53.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -45.83 -23.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -80.74 -52.25 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' B' ' 337' ' ' ALA . 2.2 m-20 -63.74 -15.43 58.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 1.1 ttt180 -43.99 -26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.36 -62.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 90.3 mt -95.22 -19.76 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 78.09 -6.44 49.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.545 ' CD1' ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -154.36 22.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.463 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 4.0 t70 -62.2 -12.74 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -7.42 59.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.51 ' CB ' ' CZ ' ' A' ' 48' ' ' ARG . 1.3 mm? -98.73 -41.43 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 1.8 p -74.87 -3.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.514 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 4.5 pt20 -44.83 -46.4 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' B' ' 345' ' ' GLN . . . 122.18 170.32 13.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -157.84 23.76 0.41 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 117.28 93.76 1.72 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 50.0 96.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' B' ' 351' ' ' VAL . 4.0 t0 174.16 -158.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' B' ' 350' ' ' ASP . 22.4 m 47.57 -169.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.431 HD11 ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -122.21 6.82 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 7.1 m 44.55 60.55 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 112.4 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.69 32.57 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' B' ' 355' ' ' LEU . 11.7 m 40.31 80.74 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.3 Cg_endo -75.06 6.74 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.514 ' CB ' ' HB2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -130.3 -42.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.24 -45.92 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 31.7 t -152.93 86.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.625 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.57 163.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -70.33 104.75 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m 54.98 -88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.543 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 179.31 150.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.34 129.74 68.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -10.11 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.76 -32.83 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -57.35 -59.26 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' B' ' 315' ' ' LEU . 0.5 OUTLIER -41.01 -47.34 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.41 -42.42 91.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -63.99 -36.83 85.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' CD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -59.91 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.8 -31.34 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 13.6 ttm180 -75.63 -20.98 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.513 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 2.4 m -79.27 -44.66 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.4 mm? -52.38 -20.52 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 4.0 mttt -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.82 -176.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.07 -33.46 4.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.575 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.82 86.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.624 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.08 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -95.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.0 mt-30 -62.74 -57.53 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.575 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 13.8 tt0 -28.44 -62.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -39.85 -51.24 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.26 -28.19 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 3.4 mt-30 -67.91 -53.7 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.574 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.4 m -56.87 -53.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.47 -32.07 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.9 m-20 -62.55 -64.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -59.96 -46.1 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -55.33 -28.87 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -84.89 -50.51 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -5.48 34.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 23.3 m-80 -152.18 105.44 2.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.543 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.98 -26.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CD2' HD13 ' A' ' 6' ' ' ILE . 1.2 mm? -78.34 -47.73 17.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.9 ttt -49.88 -47.6 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.14 -44.86 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.48 -62.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.6 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 10.6 t80 -54.35 -58.27 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.14 -41.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 7.1 mmmt -62.85 -38.49 91.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -68.34 -44.17 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.6 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -66.24 -37.47 85.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.632 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -74.74 -22.07 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.74 -11.85 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 57.5 tptt -89.22 -23.73 22.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.41 -53.33 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.95 -33.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.29 -55.72 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 m-20 -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.38 91.26 23.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.97 42.32 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.68 81.43 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.501 ' O ' ' N ' ' B' ' 306' ' ' VAL . 5.9 t -172.52 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' B' ' 304' ' ' THR . 18.5 m 65.39 -68.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 304' ' ' THR . 17.2 t -71.13 60.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -96.37 -48.48 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -66.95 -12.71 60.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.436 ' HB3' ' CG1' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -100.52 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 45.6 t30 59.63 154.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.574 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 5.6 m-20 150.07 157.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 13.5 tt0 -35.37 -53.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.504 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.24 -42.57 96.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -57.43 -38.08 73.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.48 ' CD1' HD11 ' A' ' 11' ' ' LEU . 4.1 mm? -59.51 -51.35 70.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.683 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.7 OUTLIER -66.18 -42.35 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 51.7 mm-40 -59.21 -28.29 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.53 -50.79 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' B' ' 323' ' ' LEU . 0.1 OUTLIER -78.22 -23.82 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.683 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 55.3 t -72.56 -53.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 8.6 t -61.8 -40.26 94.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.666 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -64.93 -35.68 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' B' ' 319' ' ' LEU . 6.0 mt -69.26 -39.49 78.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -54.73 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.53 51.05 4.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.666 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 3.0 tppt? -41.29 123.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.36 -40.14 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -46.5 -31.83 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 3.2 m -51.06 -30.01 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.2 -61.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.82 -48.91 77.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' B' ' 335' ' ' ASP . . . -80.68 51.94 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -51.82 -22.01 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -31.8 33.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.74 -17.1 57.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 1.2 mtm180 -35.49 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -40.04 -63.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.521 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.8 mm? -99.46 -21.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 76.6 -51.66 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.55 ' CG2' ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -113.48 23.0 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.55 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -54.04 -32.9 55.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.897 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.69 -26.91 67.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -76.61 -48.74 18.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.1 p -71.45 -3.47 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' B' ' 344' ' ' VAL . 41.7 tt0 -33.6 -34.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 158.69 70.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -111.09 142.58 16.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 92.62 -56.72 2.66 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 7.2 tt -172.53 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -159.18 170.45 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -103.81 178.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.62 54.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.457 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 34.96 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 353' ' ' SER . 1.5 mtmm 54.97 105.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 356' ' ' VAL . 2.1 mm? 60.83 62.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.1 m -31.38 102.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 4.86 4.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.499 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.2 -42.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 124.07 87.62 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.8 OUTLIER 90.52 -72.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 2.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 3' ' ' ASN . 2.2 p30 -90.56 103.38 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -144.56 146.56 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -62.83 -87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.575 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 178.74 141.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.72 143.16 40.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -63.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' GLN . 81.6 p -38.69 -38.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.91 -29.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -64.3 -46.54 83.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.41 -32.95 73.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -39.86 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -65.08 -66.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.613 HD22 ' CG ' ' B' ' 322' ' ' PHE . 0.7 OUTLIER -50.67 -31.14 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -77.18 -26.69 53.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.48 ' CG2' HG11 ' A' ' 30' ' ' VAL . 1.4 m -70.96 -36.46 72.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 2.9 mm? -69.04 -27.52 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 9.7 mmtp -53.19 -37.73 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.587 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.42 -177.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 -35.76 3.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.602 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.2 m 91.56 83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.98 -60.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -95.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' GLN . 36.6 mt-30 -63.0 -54.81 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.602 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.8 tt0 -29.93 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.547 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.6 pt20 -40.51 -49.89 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -74.55 -27.99 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.8 mt-30 -69.15 -52.63 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 1.3 m -56.85 -52.73 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.37 -32.66 74.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.0 m-20 -59.13 -54.89 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -76.07 -43.54 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -55.67 -30.17 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -90.81 -32.79 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -89.87 4.26 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.606 ' N ' ' O ' ' A' ' 33' ' ' ILE . 25.2 m-80 -158.77 109.43 1.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -59.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.575 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.8 tt0 -47.31 -23.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' ' CG2' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -84.14 -42.59 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.475 ' HA ' HD21 ' A' ' 34' ' ' LEU . 1.5 ttt -50.4 -55.59 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.63 -33.88 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.86 -61.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 7.8 t80 -60.92 -55.21 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -41.73 -51.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -62.51 -38.05 88.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' CG ' HD11 ' B' ' 323' ' ' LEU . 10.7 tp60 -63.07 -32.62 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HG2' ' CD1' ' A' ' 44' ' ' PHE . 4.4 mmp_? -77.64 -45.4 25.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.688 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -70.98 -15.08 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -11.14 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 14.2 tppt? -93.5 -25.85 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.696 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -103.78 -48.5 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.49 -39.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -63.37 -51.26 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.8 m-20 -64.16 -52.12 60.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -114.61 92.23 28.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.88 9.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -153.9 77.1 0.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' B' ' 305' ' ' THR . 1.2 t -156.47 -165.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.436 ' N ' ' CG2' ' B' ' 304' ' ' THR . 3.4 p -154.98 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.516 HG12 ' CE ' ' B' ' 313' ' ' LYS . 63.0 t 68.83 6.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -45.19 143.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 84.92 -23.36 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' B' ' 310' ' ' ASN . 0.0 OUTLIER -99.28 -56.03 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 0.7 OUTLIER 55.41 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.7 OUTLIER 152.59 160.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.54 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.6 tt0 -36.79 -53.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.516 ' CE ' HG12 ' B' ' 306' ' ' VAL . 0.2 OUTLIER -66.06 -36.54 83.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -64.55 -33.96 77.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.487 ' HG ' ' CD1' ' A' ' 11' ' ' LEU . 10.3 mp -65.76 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.577 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.4 OUTLIER -59.95 -29.53 68.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.6 mm-40 -68.74 -33.83 74.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -46.18 78.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.46 -35.27 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.577 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 23.1 t -64.06 -54.69 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.2 t -57.26 -45.72 83.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.047 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.613 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.54 -32.3 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 47' ' ' GLN . 4.0 mt -72.27 -34.93 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -54.36 47.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.9 56.29 2.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.479 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 0.9 OUTLIER -49.76 120.5 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.79 -36.01 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -46.55 -29.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.406 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 1.6 m -55.25 -31.44 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.51 -61.14 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.14 -42.45 98.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.517 ' CB ' ' NZ ' ' B' ' 342' ' ' LYS . . . -81.36 48.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.432 ' CG ' HD21 ' B' ' 334' ' ' LEU . 6.8 pt-20 -52.47 -25.94 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.432 HD21 ' CG ' ' B' ' 333' ' ' GLU . 3.8 mm? -83.08 -50.41 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' B' ' 337' ' ' ALA . 12.9 t70 -68.7 -13.1 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.1 OUTLIER -37.66 -29.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -35.6 -52.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.422 ' CB ' ' HB2' ' B' ' 341' ' ' ASP . 0.0 OUTLIER -110.41 -15.98 13.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 67.99 -56.67 0.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -101.76 19.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.507 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 15.7 t70 -54.21 -15.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.517 ' NZ ' ' CB ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.65 -25.27 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.486 HD23 ' CZ ' ' A' ' 48' ' ' ARG . 5.4 mp -80.41 -32.66 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.9 p -87.75 -4.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' B' ' 358' ' ' ARG . 1.3 tt0 -32.41 -45.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 158.81 117.13 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -126.9 -54.0 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 169.16 100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 42.64 85.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.6 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.497 HG22 ' CG ' ' B' ' 357' ' ' PRO . 2.5 p -179.51 134.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.528 ' CD1' ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -61.08 -11.76 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.512 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.7 OUTLIER 57.54 -154.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.048 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.42 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.625 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.5 mt -77.41 57.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.647 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 1.5 m -19.5 99.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.497 ' CG ' HG22 ' B' ' 351' ' ' VAL . 18.2 Cg_endo -75.01 8.57 2.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.494 ' CG ' ' CG ' ' B' ' 345' ' ' GLN . 1.4 tmt_? -131.74 -72.22 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.46 ' N ' HG21 ' B' ' 356' ' ' VAL . . . 179.48 -37.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.3 t -160.37 80.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -117.43 90.65 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -153.7 146.58 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -69.75 -65.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.514 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.31 149.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 11' ' ' LEU . 19.3 m -66.94 132.48 93.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 13.19 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 7' ' ' SER . 16.4 m -100.37 -11.84 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.619 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.17 -34.97 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' N ' HD21 ' A' ' 11' ' ' LEU . 64.9 mt-30 -67.79 -40.56 83.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.0 m-20 -72.5 -27.81 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 33' ' ' ILE . 13.7 tp -60.89 -64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -58.09 -37.5 74.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.2 ttt85 -66.37 -27.46 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.527 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' CD2' HD23 ' B' ' 323' ' ' LEU . 4.1 mt -47.74 -29.37 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.1 24.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.689 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.92 -171.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.689 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.632 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.78 81.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.635 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 164.35 -62.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -93.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 mm-40 -59.77 -52.25 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.632 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.7 OUTLIER -29.09 -62.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.6 pt20 -40.76 -49.49 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.17 -29.99 62.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 1.9 mm100 -69.13 -52.94 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.554 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.5 m -58.55 -53.29 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -61.49 -38.06 85.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.5 m-20 -53.26 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.64 -49.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -47.25 -32.7 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.72 -25.93 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -85.19 -3.01 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 33' ' ' ILE . 16.3 m-80 -164.13 112.49 0.93 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.514 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.0 tp-100 -45.28 -34.9 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.8 tm? -69.61 -47.16 64.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.583 ' HA ' HD21 ' A' ' 34' ' ' LEU . 1.1 ttt -55.51 -35.91 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.06 -36.28 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.92 -60.61 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 48' ' ' ARG . 11.6 t80 -55.69 -54.79 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.438 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.43 -42.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.96 -40.88 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -68.88 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.551 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 mtm180 -62.91 -50.92 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.676 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -72.23 -19.99 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -9.97 6.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' CG ' HD12 ' B' ' 340' ' ' ILE . 21.2 tptp -96.01 -24.57 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -104.79 -43.91 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -55.33 -25.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.24 13.2 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER 179.86 50.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm100 -124.53 111.15 27.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.09 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.22 -57.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.525 ' O ' ' CG2' ' B' ' 305' ' ' THR . 9.9 t -118.31 -55.54 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' B' ' 304' ' ' THR . 14.7 t 51.69 35.43 15.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.525 ' O ' ' C ' ' B' ' 307' ' ' GLU . 9.8 m -144.76 -42.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -28.89 140.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 93.63 -31.04 6.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.564 ' CZ ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -106.72 -58.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 16.0 t30 60.07 153.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' B' ' 314' ' ' ALA . 4.7 m-20 152.65 157.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.405 ' O ' HD22 ' B' ' 316' ' ' LEU . 35.6 tt0 -38.92 -50.7 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.564 ' NZ ' ' CZ ' ' B' ' 309' ' ' ARG . 0.1 OUTLIER -65.26 -36.62 84.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.98 -32.9 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.476 ' CB ' ' HG ' ' A' ' 11' ' ' LEU . 4.3 mm? -64.93 -60.99 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.405 HD22 ' O ' ' B' ' 312' ' ' GLU . 1.9 pp -61.88 -30.59 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.487 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 7.7 mm-40 -68.52 -29.28 67.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 17.4 tt0 -75.56 -45.8 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -66.66 -49.16 67.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.508 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 9.9 p -57.98 -48.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' B' ' 320' ' ' VAL . 42.2 t -60.27 -45.32 93.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -63.98 -30.91 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 18' ' ' LEU . 9.4 mt -64.85 -47.85 76.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -39.63 57.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -107.88 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -41.22 136.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -33.68 16.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -47.08 -24.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 62.5 m -54.29 -28.06 39.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -63.73 -71.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -48.9 63.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' B' ' 335' ' ' ASP . . . -80.06 53.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -50.41 -22.11 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -33.55 31.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -77.36 -13.83 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' B' ' 335' ' ' ASP . 12.9 mtm180 -36.09 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -43.69 -62.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 30.3 mt -103.81 -21.35 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.422 ' C ' ' OD2' ' B' ' 335' ' ' ASP . . . 69.27 -51.45 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.592 ' HB ' ' CD2' ' B' ' 343' ' ' LEU . 1.9 pp -101.11 20.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.63 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -67.1 -2.16 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.646 ' HD2' ' N ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -90.08 -50.41 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.592 ' CD2' ' HB ' ' B' ' 340' ' ' ILE . 1.4 pp -59.81 -24.35 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.63 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.5 p -94.33 -12.91 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' B' ' 344' ' ' VAL . 20.4 tt0 -30.84 -40.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 140.52 96.0 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -82.65 -45.6 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -131.73 48.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.3 mp 40.82 86.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 6.7 m-20 155.41 93.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -153.0 106.68 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.706 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 39.99 -103.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.4 t 147.19 -53.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -39.33 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.6 OUTLIER -69.05 64.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' B' ' 361' ' ' LEU . 1.1 m -38.26 98.59 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.492 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.02 4.29 4.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.459 ' CB ' HD13 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.69 -49.92 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 125.51 73.24 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 84.92 79.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.958 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.459 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.77 163.51 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.53 159.46 41.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.07 -154.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -158.95 152.71 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -66.76 153.51 93.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.99 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -31.87 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -59.47 -56.2 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.97 -31.66 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.544 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.0 mt-30 -74.39 -30.39 61.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.4 m-20 -77.15 -30.57 55.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -69.45 -64.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.85 -42.33 65.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 16.8 ttt180 -65.7 -41.16 92.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' HG11 ' A' ' 30' ' ' VAL . 1.3 m -53.83 -35.93 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.0 mm? -69.7 -24.08 63.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.4 mmtp -59.23 -34.14 71.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.43 -177.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -31.6 6.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.546 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.31 84.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.02 -102.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.34 -50.71 72.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.546 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.5 OUTLIER -32.16 -60.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -41.71 -48.68 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.533 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 mt-30 -73.35 -28.44 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' GLN . 7.7 mt-30 -67.16 -51.23 56.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.57 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -60.29 -54.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.23 -35.06 76.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.2 m-20 -58.87 -64.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -62.62 -60.62 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 2.3 mt -36.69 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 mtmt -70.21 -53.91 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' ILE . 35.4 m -92.7 20.28 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.0 m-80 -142.21 86.2 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -79.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 23.0 tp60 -50.21 -22.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -83.68 -41.67 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.527 ' HA ' HD21 ' A' ' 34' ' ' LEU . 2.4 ttt -57.97 -27.26 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.91 -31.02 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -61.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CD2' HD23 ' A' ' 18' ' ' LEU . 3.7 t80 -58.31 -53.6 56.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -46.17 -50.43 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.87 -42.3 89.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.478 ' CB ' HD11 ' B' ' 323' ' ' LEU . 41.3 mm-40 -65.52 -26.74 68.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.4 ttp180 -78.18 -49.01 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.642 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.3 t -78.27 -16.13 58.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -62.33 -11.8 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.497 ' CB ' HD12 ' B' ' 340' ' ' ILE . 0.8 OUTLIER -91.37 -27.71 18.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.694 ' CD1' ' CD1' ' B' ' 352' ' ' LEU . 0.1 OUTLIER -101.82 -51.66 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.08 -30.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -68.91 -58.04 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -88.62 18.29 4.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 mt-30 -124.11 92.92 47.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 104.74 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.34 -66.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' B' ' 307' ' ' GLU . 13.0 t -136.87 171.17 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.463 ' HG1' ' NE2' ' B' ' 318' ' ' GLN . 2.3 p -151.8 -52.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.455 ' O ' ' HB3' ' B' ' 309' ' ' ARG . 13.2 t -118.23 -8.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.495 ' CB ' ' OG1' ' B' ' 304' ' ' THR . 0.3 OUTLIER -49.25 166.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 38.62 28.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' B' ' 307' ' ' GLU . 1.3 ttt180 -132.98 -66.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.464 ' HB3' ' CB ' ' B' ' 314' ' ' ALA . 0.5 OUTLIER -83.55 -163.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.2 OUTLIER -73.8 175.85 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' B' ' 315' ' ' LEU . 9.8 tt0 -47.73 -36.49 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -52.55 -31.78 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -75.26 -32.38 61.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 315' ' ' LEU . 0.9 OUTLIER -59.91 -60.84 3.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -62.88 -51.28 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 31.3 mm-40 -39.59 -40.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.463 ' NE2' ' HG1' ' B' ' 305' ' ' THR . 1.4 mp0 -72.08 -44.88 62.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.483 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.57 -47.02 77.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -66.02 -38.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 14.5 t -63.39 -46.51 86.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -69.43 -33.97 73.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.0 mt -69.53 -35.86 75.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -53.95 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.2 44.4 3.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' B' ' 326' ' ' LYS . 1.1 tppt? -41.89 124.71 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -34.21 58.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -44.94 -27.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.34 -31.22 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.23 -68.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -49.07 74.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.99 48.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -55.95 -21.6 21.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 6.0 mp -80.95 -36.04 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -79.84 -12.79 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.6 OUTLIER -32.66 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.28 -49.95 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' B' ' 340' ' ' ILE . 1.2 mm? -110.38 -21.82 12.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 66.66 -56.72 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -93.22 20.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.466 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 1.2 t0 -54.15 -12.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.698 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -84.93 -21.86 29.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 18' ' ' LEU . 1.7 mm? -84.55 -38.36 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 6.7 p -78.9 -3.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.58 -45.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 152.53 -109.94 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 94.95 -42.7 2.35 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -142.47 -93.44 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.3 pp -163.12 79.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.95 81.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -160.3 116.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.694 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -42.47 -27.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.504 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.1 OUTLIER 76.28 62.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 132.68 38.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.86 12.32 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' B' ' 355' ' ' LEU . 3.4 m 40.32 92.84 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.423 ' CB ' HG12 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 5.46 3.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.464 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -132.12 -67.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.89 69.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 4.3 p 86.19 80.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -93.7 -58.75 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -108.42 -57.97 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' HG ' ' N ' ' A' ' 6' ' ' ILE . 60.2 p -70.17 -149.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -161.56 141.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.444 ' O ' HD12 ' A' ' 11' ' ' LEU . 3.4 m -69.02 143.48 94.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 10.93 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 m -101.49 -10.76 19.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.22 -62.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.601 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -42.43 -29.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.601 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.33 -40.99 64.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.6 m-20 -74.65 -29.57 61.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' CD2' ' HB ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -64.95 -68.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -29.8 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -75.17 -23.79 57.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -75.97 -53.75 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.1 mm? -49.45 -26.05 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.2 mptm? -56.39 -37.43 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.4 -178.28 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -74.99 -33.06 4.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.08 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.23 -51.23 69.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.558 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -31.62 -59.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.568 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -41.86 -50.42 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -72.59 -26.61 61.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' GLN . 8.0 mt-30 -68.87 -52.34 30.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.554 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -59.4 -52.56 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -60.11 -36.66 77.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.2 m-20 -58.8 -67.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.746 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.85 -60.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -39.71 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 33' ' ' ILE . 14.3 mttm -84.51 -53.93 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 49.5 m -78.1 1.3 21.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.1 m120 -145.73 101.96 4.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -55.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -52.57 -42.29 64.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 6' ' ' ILE . 4.0 mm? -60.82 -52.74 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.88 -45.88 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.58 -46.09 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.01 -59.8 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' ARG . 3.6 t80 -54.43 -57.33 11.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -48.01 -35.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.18 -50.11 67.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HB2' ' CG2' ' B' ' 320' ' ' VAL . 18.8 tp60 -74.87 -13.0 60.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -95.71 -21.2 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.611 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.1 t -99.55 -17.66 17.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 -18.47 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -82.24 -29.36 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.68 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.56 -59.59 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -39.7 -27.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -74.04 -65.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 24.6 p30 -64.75 -21.32 66.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.3 pt20 -127.95 85.51 60.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.43 17.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.65 88.19 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.987 179.962 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.952 -0.442 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' B' ' 305' ' ' THR . 2.6 t -61.75 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' B' ' 304' ' ' THR . 0.3 OUTLIER -167.95 76.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.611 ' O ' ' HD2' ' B' ' 309' ' ' ARG . 9.8 p -177.79 -30.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -29.92 104.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 132.71 -29.48 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -100.0 -72.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.4 t-20 59.5 128.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 5.8 m-20 152.4 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 311' ' ' ASP . 11.7 tt0 -36.4 -57.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.47 ' HE2' ' CB ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.91 -36.97 85.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.77 -33.39 75.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.6 mm? -63.93 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.86 -25.92 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 8.5 mm-40 -73.8 -28.56 61.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -74.83 -46.79 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.548 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.92 -47.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' B' ' 317' ' ' GLU . 4.0 p -62.12 -43.91 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.76 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.454 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 5.8 mt -63.73 -50.85 67.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -54.19 32.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.61 48.35 2.82 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.41 ' NZ ' HD12 ' B' ' 343' ' ' LEU . 2.3 tppp? -40.69 121.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -36.95 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.4 tt0 -45.64 -26.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.439 HG21 ' CG ' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -52.07 -34.53 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.18 -44.8 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -48.47 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.4 50.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.13 -22.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -37.89 27.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' B' ' 337' ' ' ALA . 5.0 m-20 -79.14 -18.45 53.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.439 ' CG ' HG21 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.77 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.19 -58.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -94.51 -18.12 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.64 -51.03 2.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 343' ' ' LEU . 1.6 pp -111.81 15.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 1.2 t0 -49.09 -27.27 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -68.81 -28.51 66.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.5 OUTLIER -75.92 -26.49 57.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.6 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -89.41 -11.32 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.1 tm0? -32.61 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.468 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . 162.18 -79.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 76.79 -62.68 3.2 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -152.56 39.08 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.6 tp 63.42 68.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.59 13.65 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.468 ' CG1' ' HA3' ' B' ' 346' ' ' GLY . 0.9 OUTLIER -78.08 147.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.91 8.66 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.5 t 82.66 -58.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.945 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 131.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 51.56 68.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.368 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' B' ' 355' ' ' LEU . 16.5 m -37.72 102.93 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' B' ' 361' ' ' LEU . 18.3 Cg_endo -74.89 -2.67 12.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.583 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.56 -43.57 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 120.12 91.17 1.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.544 ' C ' HD11 ' B' ' 361' ' ' LEU . 0.3 OUTLIER 78.69 65.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.988 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.583 ' CD1' ' HB3' ' B' ' 358' ' ' ARG . 1.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.4 157.52 22.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' ILE . 7.6 mmt85 -56.85 96.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 4' ' ' ARG . 7.5 p 53.84 -88.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.555 ' CG1' ' HB2' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -163.12 147.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.1 m -82.77 144.82 49.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.93 10.47 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 62.2 m -100.97 -10.06 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.69 -63.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -44.33 -29.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.548 ' N ' HD21 ' A' ' 11' ' ' LEU . 1.8 tt0 -73.26 -40.52 64.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.9 m-20 -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 2.4 tp -65.97 -68.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -30.19 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 1.4 ttt-85 -74.16 -27.22 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -72.1 -47.47 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 2.8 mm? -57.92 -28.6 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' B' ' 303' ' ' PRO . 2.4 mptp? -53.72 -34.43 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.65 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 p -52.56 -173.21 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -75.01 -35.35 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.665 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 m 87.61 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.76 -62.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.0 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 7.1 mt-30 -60.82 -52.02 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.665 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 3.7 tm0? -29.44 -61.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.569 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.4 pt20 -41.01 -50.7 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.05 -27.84 61.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.51 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 4.6 mm-40 -67.86 -52.25 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -59.29 -52.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.93 -32.75 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -60.03 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.33 -61.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -37.1 -35.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ILE . 6.0 mtmm -62.26 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 m -100.17 18.98 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -122.74 90.27 49.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.555 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 15.8 mt-30 -75.75 -15.88 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 2.7 mm? -86.32 -55.1 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -49.72 -49.44 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.95 -42.73 76.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -58.55 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' ARG . 2.8 t80 -57.17 -56.04 26.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.43 -34.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -68.73 -47.3 66.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' NE2' HG11 ' B' ' 320' ' ' VAL . 8.8 tp-100 -73.57 -17.2 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.617 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -91.13 -31.27 16.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.592 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 14.8 t -88.51 -15.65 34.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -11.11 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 11.0 tppt? -89.5 -23.95 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.649 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.0 -45.38 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -22.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.42 16.39 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' TYR . 58.1 m-20 -143.51 -46.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.82 114.38 59.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.62 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.54 88.84 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' B' ' 318' ' ' GLN . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' B' ' 318' ' ' GLN . 0.6 OUTLIER -134.85 130.22 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.459 ' O ' ' HB ' ' B' ' 306' ' ' VAL . 86.1 m -158.27 49.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.502 ' N ' ' HE ' ' B' ' 309' ' ' ARG . 0.4 OUTLIER 175.85 -28.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' B' ' 315' ' ' LEU . 37.9 tt0 -43.87 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.409 ' C ' ' HD2' ' B' ' 309' ' ' ARG . . . -78.07 44.64 2.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.502 ' HE ' ' N ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -136.24 -41.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.546 ' HB3' ' CB ' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -109.16 -162.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.5 OUTLIER -75.29 171.41 14.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.477 ' HG2' ' CD2' ' B' ' 316' ' ' LEU . 28.5 tt0 -45.23 -39.52 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -51.78 -29.79 20.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' B' ' 311' ' ' ASP . . . -76.43 -28.36 56.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' B' ' 315' ' ' LEU . 0.9 OUTLIER -64.83 -59.07 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.604 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.32 -35.38 80.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.4 mm-40 -68.12 -31.93 71.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' B' ' 303' ' ' PRO . 7.2 tp60 -67.89 -47.1 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.47 -34.0 63.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 38.5 t -65.88 -54.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.0 t -58.91 -41.3 86.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -34.0 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.25 -50.25 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -50.65 64.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.49 44.59 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 125.23 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.11 -41.08 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -45.29 -26.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -33.25 21.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.36 -53.15 61.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.41 -50.13 13.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.41 50.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.77 -22.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.16 -42.92 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' B' ' 337' ' ' ALA . 17.7 m-20 -76.22 -15.91 59.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -27.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.51 -60.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 2.3 mt -96.18 -19.15 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 78.93 -6.55 55.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 51' ' ' LYS . 2.2 pp -152.86 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER -53.34 -28.08 26.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -21.99 63.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.1 OUTLIER -80.87 -31.47 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -83.79 -8.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.0 tt0 -34.04 -36.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 145.18 104.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -149.4 -54.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' B' ' 350' ' ' ASP . . . -87.23 93.44 1.89 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 15.7 tp 65.58 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 348' ' ' GLY . 38.2 m-20 -170.58 151.26 3.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.481 ' CG1' HD21 ' B' ' 361' ' ' LEU . 3.1 p -45.2 169.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -91.9 25.44 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.7 -66.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 355' ' ' LEU . 10.1 ttmt -40.23 126.17 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 354' ' ' LYS . 4.2 mm? 58.91 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.84 95.42 33.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.471 ' CD ' HG22 ' B' ' 351' ' ' VAL . 18.5 Cg_endo -74.95 4.35 4.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.492 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -131.03 -42.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.4 73.75 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.7 t 87.28 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' B' ' 351' ' ' VAL . 1.7 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -149.87 97.55 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD2' ' CA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -81.32 169.29 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -45.67 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.502 HG13 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 173.8 143.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.533 ' O ' HD12 ' A' ' 11' ' ' LEU . 12.1 m -69.02 136.44 89.55 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 12.5 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 7' ' ' SER . 19.7 m -101.73 -10.74 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.44 -63.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.545 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -44.32 -29.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.545 ' N ' HD21 ' A' ' 11' ' ' LEU . 5.8 mm-40 -73.8 -40.26 63.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 10' ' ' ALA . 19.9 m-20 -73.11 -32.35 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 4.4 tp -66.89 -66.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.84 -34.15 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 2.1 ttm180 -74.44 -27.99 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -69.65 -43.99 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.0 mm? -61.19 -28.38 69.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -52.55 -35.72 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.582 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.92 -177.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.592 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 t 88.94 83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.01 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -100.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -61.61 -50.46 72.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.592 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 6.5 tm0? -32.19 -58.55 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.6 pt20 -42.43 -50.03 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.3 -25.34 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' GLN . 4.8 mm-40 -67.74 -47.52 69.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.518 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -63.46 -51.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -35.92 82.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -57.31 -58.84 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -67.68 -60.38 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -36.79 -34.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.6 mttt -63.52 -52.81 59.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -97.56 16.17 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -122.65 91.21 49.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 1.1 tp-100 -73.52 -15.16 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' ' CB ' ' A' ' 37' ' ' ASN . 1.6 mm? -82.95 -54.8 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' ILE . 19.1 ttt -50.93 -44.32 60.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -51.35 -42.56 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -59.5 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' GLN . 1.5 t80 -57.33 -58.21 9.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.24 -50.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.47 -36.74 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.551 ' CD ' ' CD1' ' B' ' 343' ' ' LEU . 0.6 OUTLIER -78.01 -47.62 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.623 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.6 t -61.58 -24.63 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.454 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.6 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -91.1 -28.88 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.698 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.09 -42.67 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -57.19 -37.97 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.9 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.7 m-20 -102.0 -42.07 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -123.06 96.22 45.03 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.28 70.77 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 111.041 179.969 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 9.1 t -151.0 151.66 32.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 9.2 t -139.53 22.41 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' B' ' 310' ' ' ASN . 32.3 m -132.03 6.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.95 -33.2 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -78.7 4.87 59.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.489 ' CZ ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -131.35 -59.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.546 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.7 t-20 64.14 144.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 5.6 m-20 152.2 166.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.9 OUTLIER -38.64 -60.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.489 ' NZ ' ' CZ ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -60.95 -33.05 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -67.67 -33.48 75.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 11' ' ' LEU . 3.8 mm? -64.8 -61.35 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.574 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.6 OUTLIER -60.44 -31.65 70.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.9 mm-40 -68.95 -31.88 71.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.53 -35.56 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 24.4 t -63.26 -55.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.2 t -57.15 -44.56 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.3 -31.76 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.51 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 5.3 mt -68.83 -44.4 73.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -52.61 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.44 58.01 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER -46.84 121.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.02 -37.57 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.49 -22.43 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.484 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 28.0 m -50.75 -24.91 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.6 -49.75 69.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -53.41 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -79.99 52.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -50.1 -22.93 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -81.92 -52.05 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.3 OUTLIER -69.89 -14.61 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.484 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 75.2 ttt180 -39.87 -27.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.23 -49.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.482 ' CD1' ' NZ ' ' A' ' 51' ' ' LYS . 8.7 mt -103.02 -23.67 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 72.17 -1.75 31.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.513 ' CG2' ' O ' ' B' ' 339' ' ' GLY . 1.7 pp -161.36 25.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -5.92 31.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.47 -51.67 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.551 ' CD1' ' CD ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -60.18 -12.89 9.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.59 HG12 ' CE1' ' A' ' 52' ' ' TYR . 6.5 t -101.18 -13.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 20.0 tt0 -29.85 -44.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 162.61 133.09 1.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -157.52 58.3 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 94.72 46.17 2.99 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.6 mp 46.94 69.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -138.04 25.75 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.463 ' C ' ' N ' ' B' ' 353' ' ' SER . 1.1 m -100.48 134.07 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.638 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -40.33 -28.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 88.75 -51.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 356' ' ' VAL . 4.8 tttt -49.21 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -69.66 64.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -33.75 98.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.02 2.99 6.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.551 ' CG ' ' HG3' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -124.5 -57.84 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 137.45 74.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 84.63 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.64 132.96 37.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.39 -173.79 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 p -78.27 -164.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.95 166.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 6' ' ' ILE . 75.2 m -85.73 156.31 58.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -72.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.626 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.9 p -18.96 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -39.83 -49.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -50.6 -46.88 58.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.517 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.2 mt-30 -66.09 -30.77 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -35.37 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD13 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -68.15 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.528 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.04 -34.37 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 13.2 ttm-85 -76.0 -28.04 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -73.28 -34.18 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.515 ' N ' HD21 ' A' ' 18' ' ' LEU . 3.6 mm? -67.37 -26.85 66.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -56.89 -32.06 65.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.631 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.63 -174.88 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -35.8 2.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.661 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.9 p 87.17 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.07 -62.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.96 -97.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -60.58 -49.9 75.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.661 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 2.8 tm0? -31.64 -60.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.0 pt20 -40.97 -49.22 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.2 -28.61 62.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.9 mm100 -70.31 -54.74 11.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 1.4 m -55.27 -49.08 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.594 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.24 -32.05 73.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.501 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.6 m-20 -59.97 -56.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -70.42 -46.1 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.26 -30.73 60.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.86 -34.62 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ASN . 18.9 m -79.91 -4.08 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.536 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 1.6 m-80 -158.54 108.15 1.65 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -70.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.2 tp60 -43.21 -26.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.536 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.15 -44.33 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -57.46 -28.3 63.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -60.39 -38.83 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.73 61.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' CD2' HD13 ' A' ' 14' ' ' LEU . 3.0 t80 -69.05 -56.85 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.475 ' C ' ' CD1' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.83 -46.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -71.15 -35.08 71.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.6 tp-100 -66.17 -44.42 84.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 4.3 ptt180 -72.4 -40.52 67.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.696 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.2 t -72.46 -18.95 61.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.45 -13.29 12.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HG2' ' CD1' ' B' ' 340' ' ' ILE . 4.6 tppt? -91.12 -31.99 16.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -95.5 -50.25 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.47 -27.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -44.63 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' TYR . 10.8 p30 -103.82 18.79 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.6 mt-30 -126.44 97.09 34.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.81 -84.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 3.1 t -177.34 -40.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.407 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 40.89 40.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . . . . . . . . . 7.8 p -169.89 44.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -89.15 -17.8 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -97.58 19.56 54.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.461 ' CD ' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -135.52 -64.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.9 t30 61.49 139.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 1.8 m-20 153.75 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -38.95 -57.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.469 ' HE3' ' CA ' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.1 -35.9 78.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -66.96 -33.81 76.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 11' ' ' LEU . 4.2 mm? -64.36 -60.93 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' B' ' 313' ' ' LYS . 1.6 pp -60.68 -31.94 71.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' B' ' 321' ' ' SER . 8.9 mm-40 -68.23 -30.03 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.99 -47.03 66.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -71.83 -50.05 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.543 ' N ' ' CD1' ' B' ' 319' ' ' LEU . 0.8 OUTLIER -57.93 -39.04 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 12.1 t -62.19 -52.48 63.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.0 OUTLIER -59.03 -29.71 67.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.514 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 8.4 mt -66.88 -49.11 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -53.24 38.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.956 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -90.07 50.79 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.51 ' CE ' ' HA ' ' B' ' 326' ' ' LYS . 0.3 OUTLIER -41.2 119.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -27.02 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -24.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.516 ' N ' ' NZ ' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -62.23 -30.61 71.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.6 -44.32 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -49.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -78.92 55.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.92 -23.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -80.73 -49.54 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.06 -15.51 33.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -49.56 -20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -36.52 -62.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 74.7 mt -96.63 -17.59 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 88.06 -28.94 5.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.64 ' O ' HD21 ' B' ' 343' ' ' LEU . 2.4 pp -132.71 8.58 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.532 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -50.33 -18.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.516 ' NZ ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.51 -9.17 59.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.648 ' CD2' ' C ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -100.88 -15.07 17.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.573 ' CG2' HG21 ' B' ' 351' ' ' VAL . 1.3 p -113.07 -3.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.3 mt-30 -28.87 -46.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 122.16 -152.84 16.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 161.14 -27.01 0.28 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -173.7 -92.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.32 95.56 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.591 ' O ' ' O ' ' B' ' 351' ' ' VAL . 1.3 t0 -174.12 -157.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.591 ' O ' ' O ' ' B' ' 350' ' ' ASP . 4.2 p 48.37 169.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.628 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -84.66 14.55 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 354' ' ' LYS . 16.9 t 62.94 -72.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' B' ' 352' ' ' LEU . 6.2 tttt -45.35 172.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 2.7 mp 42.73 58.37 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' B' ' 355' ' ' LEU . 17.2 m -37.38 98.25 0.15 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.488 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.94 1.05 8.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.542 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -116.69 -45.11 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 144.49 -41.77 1.07 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 96.2 p -160.31 93.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -166.31 141.9 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -48.46 165.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -47.01 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.419 ' CD1' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 175.6 147.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.562 ' O ' HD12 ' A' ' 11' ' ' LEU . 25.0 m -79.82 137.95 54.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 12.65 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 7' ' ' SER . 76.9 p -102.56 -10.5 19.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.7 -63.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -43.69 -28.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.555 ' N ' HD21 ' A' ' 11' ' ' LEU . 6.7 mt-30 -74.58 -41.14 61.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.36 -35.57 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.46 -68.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.3 OUTLIER -50.12 -29.92 10.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 10.6 ttm180 -75.84 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.498 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -67.64 -44.22 78.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 2.9 mm? -55.15 -25.01 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 6.4 mmtt -54.89 -37.87 66.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.35 -176.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -34.6 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.592 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 89.07 82.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.59 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.92 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.59 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -96.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.53 -54.88 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.592 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 5.3 tt0 -29.47 -60.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.8 pt20 -40.78 -50.62 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.1 mt-30 -73.73 -26.33 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLN . 3.4 mm100 -68.89 -50.52 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.538 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -60.78 -52.0 66.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.49 -32.7 74.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -59.63 -59.87 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.1 -59.42 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -37.75 -34.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 4.1 mttt -64.18 -52.09 60.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 33' ' ' ILE . 65.0 m -96.91 16.76 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.9 m-80 -127.82 90.74 47.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HB3' HG13 ' A' ' 6' ' ' ILE . 1.2 tt0 -65.86 -18.2 65.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.6 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -85.28 -55.46 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -48.95 -48.96 42.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.16 -44.33 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -60.47 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 5.3 t80 -52.81 -56.42 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -48.98 -41.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -62.47 -35.95 80.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -76.98 -26.33 53.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -76.18 -41.1 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.634 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.3 t -83.36 -18.7 37.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -13.57 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -85.8 -24.4 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.7 -53.63 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.53 -39.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.73 70.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -88.39 -12.85 42.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.5 mm-40 -112.15 95.95 32.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.79 38.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.28 61.91 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' B' ' 305' ' ' THR . 13.3 t -74.55 -166.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' B' ' 304' ' ' THR . 0.2 OUTLIER -170.48 46.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' B' ' 314' ' ' ALA . 12.4 p -175.34 45.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.35 -41.96 16.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -79.49 12.06 28.95 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.496 ' CZ ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -127.36 -59.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.798 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.693 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 35.6 t30 57.87 163.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.693 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 8.8 t70 137.92 161.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.6 pt-20 -37.56 -59.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -61.36 -31.84 71.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -68.25 -32.44 72.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.541 ' O ' ' CG ' ' B' ' 318' ' ' GLN . 4.3 mm? -66.97 -62.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.582 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.3 -25.19 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 25.6 mm-40 -73.48 -35.83 65.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.675 ' HG3' ' N ' ' B' ' 319' ' ' LEU . 0.9 OUTLIER -67.26 -36.26 81.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.675 ' N ' ' HG3' ' B' ' 318' ' ' GLN . 0.1 OUTLIER -84.1 -35.27 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.582 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 11.6 t -64.07 -50.13 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -47.33 77.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.605 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -57.87 -32.46 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.454 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 6.0 mt -72.29 -46.51 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -53.93 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.52 51.5 4.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.422 ' NZ ' HD21 ' B' ' 323' ' ' LEU . 1.0 OUTLIER -42.44 125.41 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.57 -32.33 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.05 -31.36 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -51.12 -27.47 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.84 -71.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.64 -30.98 70.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.424 ' CB ' ' OD1' ' B' ' 335' ' ' ASP . . . -80.56 50.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.4 -22.8 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.22 -51.98 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.5 ' CG ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.43 -15.57 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.1 OUTLIER -36.56 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.79 -63.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.9 -19.08 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 74.64 -5.1 31.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' B' ' 339' ' ' GLY . 2.3 pp -156.45 22.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 335' ' ' ASP . 0.6 OUTLIER -57.37 -24.79 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.5 ' NZ ' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -74.11 -18.04 60.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.437 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -84.95 -41.91 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 52' ' ' TYR . 3.7 p -80.36 -4.85 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.2 mt-30 -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 165.94 100.22 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -94.9 -133.98 7.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -89.56 -73.82 1.28 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.5 67.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 43.5 -161.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -145.45 -108.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.34 107.62 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER -59.68 -149.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.13 -88.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 353' ' ' SER . 6.9 mt -77.18 56.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -38.23 102.11 0.24 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.449 ' CG ' HG21 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.02 -0.13 9.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.537 ' CG ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -115.43 -42.78 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.09 -45.99 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 12.0 t -154.8 93.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.81 95.95 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.37 150.37 21.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -56.66 -74.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -153.57 151.12 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -54.68 146.16 36.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 -78.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLN . 87.3 p -36.09 -39.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.5 ' CB ' ' ND2' ' A' ' 37' ' ' ASN . . . -41.18 -31.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.591 ' HG ' ' N ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -66.51 -50.1 64.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.591 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -63.84 -29.89 71.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -35.26 67.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.589 ' CD2' ' CD2' ' A' ' 40' ' ' LEU . 1.6 tp -67.95 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.96 -37.4 44.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 8.4 ttm-85 -72.85 -32.34 65.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' HG11 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.39 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 3.0 mt -75.88 -28.9 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -54.48 -22.24 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -60.36 -175.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -34.18 4.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.549 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.4 m 86.96 89.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 156.31 -60.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.94 -102.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 33.8 mt-30 -62.93 -51.31 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.549 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -31.09 -59.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.12 -50.11 4.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.96 -27.29 61.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.51 ' N ' ' NE2' ' A' ' 29' ' ' GLN . 4.2 mm-40 -68.65 -52.61 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.1 m -59.24 -53.45 47.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.08 -35.28 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 3.9 m-20 -57.66 -68.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -56.28 -63.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.56 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ILE . 9.3 mtmt -81.23 -51.15 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -80.36 4.64 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -150.66 90.27 4.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.02 -77.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.96 -23.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -46.88 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -57.55 -24.77 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.67 -45.45 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -60.62 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 14' ' ' LEU . 1.6 t80 -53.89 -56.28 19.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 HG12 ' CZ ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -47.73 -35.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 4.5 mmpt? -74.67 -32.5 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -71.73 -47.55 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 5.3 ptt180 -69.0 -42.11 76.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.606 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.9 t -75.19 -20.33 59.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -62.84 -9.66 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.606 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -90.14 -24.68 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -109.04 -52.88 2.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.64 -34.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 16.6 m-20 -54.3 -43.5 71.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 92.03 32.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 165.07 32.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' MET . . . 169.63 -63.13 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 1.2 t -176.68 158.22 1.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' B' ' 306' ' ' VAL . 0.5 OUTLIER -112.79 173.62 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.461 ' N ' ' OG1' ' B' ' 305' ' ' THR . 22.5 m 39.68 -141.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER 76.35 157.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 32.41 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' B' ' 307' ' ' GLU . 1.2 ttm180 -145.72 -50.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.544 ' HB3' ' HB1' ' B' ' 314' ' ' ALA . 0.8 OUTLIER -90.12 -83.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.442 ' O ' HD23 ' B' ' 315' ' ' LEU . 1.2 t0 -173.96 -154.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.591 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 3.0 tt0 -61.46 -53.89 50.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -46.87 -32.92 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' B' ' 310' ' ' ASN . . . -74.6 -34.77 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.709 ' O ' ' HG3' ' B' ' 318' ' ' GLN . 0.0 OUTLIER -62.69 -46.46 88.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.1 OUTLIER -77.33 -50.35 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 4.2 mm-40 -39.11 -48.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.709 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.3 OUTLIER -65.11 -43.8 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.97 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.447 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 1.0 OUTLIER -55.38 -36.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.5 m -57.93 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -60.19 -32.67 71.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' B' ' 322' ' ' PHE . 9.0 mt -64.77 -44.31 90.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -47.68 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.36 46.79 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -42.33 122.63 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -35.81 73.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.31 -27.97 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 7.5 m -53.9 -27.94 33.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.56 -56.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -46.52 58.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -79.58 54.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 11.4 pt-20 -51.74 -20.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.84 -32.33 27.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -79.34 -15.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' B' ' 333' ' ' GLU . 0.9 OUTLIER -36.15 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -47.22 -62.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 5.6 mp -94.59 -22.81 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.48 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 65.82 6.42 30.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.493 ' CD1' ' CG2' ' B' ' 344' ' ' VAL . 2.0 pp -156.2 22.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -46.49 -23.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.04 -42.92 68.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.537 HD22 ' CZ ' ' A' ' 44' ' ' PHE . 2.8 mp -67.02 -12.35 59.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.667 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -100.51 -15.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.2 tt0 -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 160.42 140.47 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -171.4 122.13 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 94.93 -54.25 1.9 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.01 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -141.82 -160.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.658 ' O ' ' C ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -157.91 124.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.658 ' C ' ' O ' ' B' ' 351' ' ' VAL . 0.0 OUTLIER 15.71 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.419 ' N ' HD21 ' B' ' 352' ' ' LEU . 2.4 p 165.53 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 137.28 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.17 72.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' B' ' 361' ' ' LEU . 2.1 m -41.83 103.96 0.33 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.99 4.66 4.54 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.498 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 4.2 ttp85 -122.13 -49.91 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 148.74 -39.09 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 55.6 p -162.33 87.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.583 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -149.8 156.45 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -56.51 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p -95.99 -141.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -145.97 140.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.541 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.42 128.57 32.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.527 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 3.61 5.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -102.05 -11.29 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -79.53 -59.19 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD21 ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.97 -29.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.649 ' N ' HD21 ' A' ' 11' ' ' LEU . 55.3 mt-30 -70.18 -40.85 74.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.2 m-20 -71.88 -28.55 63.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 33' ' ' ILE . 9.2 tp -65.6 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.28 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 39.9 ttt180 -75.74 -27.74 58.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.489 ' CG2' ' NE2' ' A' ' 26' ' ' GLN . 1.1 m -68.42 -44.81 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 2.9 mm? -56.9 -28.96 62.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' B' ' 322' ' ' PHE . 29.0 mmtt -53.2 -29.64 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.68 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -53.54 -172.34 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.586 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.96 71.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 175.2 -63.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -98.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.6 mt-30 -54.6 -51.8 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.586 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 8.0 tp60 -26.6 -62.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -43.79 -49.35 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.14 -31.28 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 1.8 mm100 -66.36 -53.61 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.58 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.3 m -58.01 -54.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.58 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.28 -32.99 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -59.83 -68.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -58.14 -53.22 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.5 mt -47.05 -29.27 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.8 mttm -81.05 -49.54 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 0.52 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.534 ' OD1' ' CD1' ' A' ' 6' ' ' ILE . 27.5 m-80 -155.86 109.02 2.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.38 -41.5 13.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 18.5 mt -59.63 -54.66 43.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -47.93 -43.78 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.81 -43.63 81.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.25 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 48' ' ' ARG . 19.5 t80 -57.22 -55.78 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.62 -40.03 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -62.33 -48.12 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -74.16 -18.23 60.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.585 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -86.57 -31.29 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.606 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 10.5 t -89.61 -16.54 30.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.66 -13.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.95 -34.36 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.69 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -97.56 -50.46 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.93 -41.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -57.29 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.49 -49.97 75.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -113.67 93.04 26.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 121.89 6.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.98 90.01 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.51 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.446 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.444 ' O ' ' C ' ' B' ' 306' ' ' VAL . 13.7 t -94.1 152.9 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.446 HG22 ' N ' ' B' ' 307' ' ' GLU . 31.2 m 36.57 -141.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 307' ' ' GLU . 0.0 OUTLIER 72.09 135.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.359 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.33 67.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -128.74 -67.88 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.527 ' HB3' ' HB1' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.93 -76.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' B' ' 314' ' ' ALA . 9.0 t70 -177.37 -174.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -43.81 -55.74 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -46.15 -28.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' B' ' 310' ' ' ASN . . . -77.57 -35.49 53.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -60.94 -59.32 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.12 -47.69 84.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.542 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 32.7 mm-40 -45.91 -40.25 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -43.98 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.493 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -66.47 -59.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.542 ' CG1' ' HA ' ' B' ' 317' ' ' GLU . 1.3 p -53.42 -39.34 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.7 t -59.49 -41.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.4 -32.68 62.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.499 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 6.1 mt -59.48 -45.24 92.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.9 -51.95 53.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.32 50.97 3.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.476 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.93 122.24 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -36.69 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -47.88 -29.67 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.441 HG22 ' NH1' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -51.46 -25.61 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -56.64 -68.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -49.87 74.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.79 51.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -48.49 -23.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -48.77 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 337' ' ' ALA . 70.8 m-20 -61.1 -15.36 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.441 ' NH1' HG22 ' B' ' 329' ' ' THR . 1.0 OUTLIER -39.56 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.9 -62.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 53.0 mt -88.93 -29.99 19.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.11 -12.47 24.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.476 ' CD1' ' CG2' ' B' ' 344' ' ' VAL . 2.2 pp -148.17 16.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.424 ' OD1' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -50.71 -25.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.427 ' HE2' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -66.66 -33.47 75.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.422 ' HB3' ' NE ' ' A' ' 48' ' ' ARG . 2.6 mm? -80.11 -21.04 43.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 3.2 t -86.38 -10.35 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.421 ' HA ' ' C ' ' B' ' 357' ' ' PRO . 7.5 pt20 -38.48 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . -173.93 121.92 0.87 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -112.31 -89.25 1.83 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -145.44 -44.24 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.456 HD22 ' O ' ' B' ' 351' ' ' VAL . 0.0 OUTLIER -91.87 37.81 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' B' ' 351' ' ' VAL . 5.2 m-20 52.3 58.95 4.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 3.9 m 43.27 -169.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.23 -13.47 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.4 t 88.29 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 102.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.6 mp 67.21 89.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.9 m -37.88 102.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' B' ' 345' ' ' GLN . 18.3 Cg_endo -75.05 3.14 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.478 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 1.5 ttp85 -122.11 -44.51 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.43 -43.19 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 11.4 t -155.53 91.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.606 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -87.84 166.35 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 141.41 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -81.5 -155.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.511 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -161.5 161.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 6' ' ' ILE . 66.8 m -74.23 142.68 79.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -60.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 57.7 p -38.25 -37.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.1 -32.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -63.35 -46.8 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -62.71 -31.64 72.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.94 -38.78 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 33' ' ' ILE . 1.3 tp -60.92 -67.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.596 HD21 ' CE2' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -53.34 -38.07 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 4.3 ttm180 -61.22 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' CG2' ' OE1' ' A' ' 26' ' ' GLN . 1.3 m -69.34 -51.07 40.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.7 mm? -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 7.0 mmtt -52.93 -31.88 42.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.682 ' HG ' ' NE2' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -52.58 -173.08 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.606 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 88.1 79.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 167.07 -62.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -96.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -58.01 -53.0 63.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.682 ' NE2' ' HG ' ' A' ' 20' ' ' SER . 1.5 tp-100 -27.85 -62.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -41.45 -49.89 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.37 -27.72 60.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' CB ' HG22 ' A' ' 17' ' ' THR . 1.4 mm100 -70.98 -53.69 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.518 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.5 m -57.04 -50.66 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.75 -31.1 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 3.1 m-20 -59.23 -53.48 57.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.548 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -76.52 -42.71 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -57.4 -30.49 64.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.3 ptpt -90.6 -31.0 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.468 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 18.4 m -88.76 1.7 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 13.5 m-80 -160.37 114.28 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.07 -40.04 14.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 37' ' ' ASN . 1.7 mm? -60.95 -51.09 70.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.567 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.5 ttt -50.56 -46.37 57.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.75 -40.12 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -62.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLN . 6.7 t80 -57.39 -56.19 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.567 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.36 -49.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.01 -41.39 92.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 3.6 mm-40 -61.66 -45.05 95.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 6.8 mtp180 -63.79 -49.66 72.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.653 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -66.7 -25.14 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -7.9 10.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tppt? -93.98 -23.29 18.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.4 -45.11 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.39 -24.45 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.48 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.15 49.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -121.47 112.02 32.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 98.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.7 70.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.569 ' OG1' ' CG ' ' B' ' 318' ' ' GLN . 8.9 t -64.01 -153.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.733 ' O ' ' N ' ' B' ' 307' ' ' GLU . 0.8 OUTLIER -164.84 150.41 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.551 ' CG1' ' C ' ' B' ' 305' ' ' THR . 0.2 OUTLIER 47.64 -77.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.733 ' N ' ' O ' ' B' ' 305' ' ' THR . 9.3 pt-20 48.27 -139.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' B' ' 315' ' ' LEU . . . -28.9 -39.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -41.25 -47.39 3.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.499 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 1.3 m-20 -93.83 -165.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 0.9 OUTLIER -66.39 -174.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.945 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.47 ' HA ' HD21 ' B' ' 315' ' ' LEU . 12.0 tt0 -58.64 -37.61 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -53.01 -31.34 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.482 ' CB ' ' CB ' ' B' ' 310' ' ' ASN . . . -72.57 -35.15 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.517 ' CD2' ' HA3' ' B' ' 308' ' ' GLY . 3.8 mm? -59.96 -59.56 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.467 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.23 -38.33 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' B' ' 321' ' ' SER . 3.9 mm-40 -53.15 -38.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.569 ' CG ' ' OG1' ' B' ' 304' ' ' THR . 0.7 OUTLIER -64.82 -45.58 85.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.36 -56.18 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' B' ' 317' ' ' GLU . 2.3 m -53.5 -38.53 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 13.5 t -60.88 -53.76 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.596 ' CE2' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.35 -30.29 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.485 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 7.5 mt -66.38 -44.02 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -48.54 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -96.98 50.43 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.432 ' NZ ' HD22 ' B' ' 343' ' ' LEU . 1.5 tppp? -40.62 125.43 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.54 -25.94 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.36 -32.25 64.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.02 -33.06 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.62 -75.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.51 -52.8 43.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.22 51.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.77 -22.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.76 -31.4 46.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.489 ' HB2' ' CE ' ' B' ' 342' ' ' LYS . 1.1 p-10 -73.38 -16.21 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.462 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.2 OUTLIER -36.6 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.17 -63.28 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' B' ' 355' ' ' LEU . 0.0 OUTLIER -107.04 -13.05 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.424 ' O ' ' OD2' ' B' ' 335' ' ' ASP . . . 71.78 -53.97 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.524 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.7 pp -109.24 21.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.475 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -52.93 -15.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.489 ' CE ' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -84.64 -30.14 25.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' B' ' 340' ' ' ILE . 3.4 mm? -75.17 -29.9 60.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' B' ' 351' ' ' VAL . 3.5 p -92.27 -4.71 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' B' ' 344' ' ' VAL . 61.4 tt0 -36.14 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 142.98 -158.54 27.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 124.7 -161.71 19.12 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . 0.48 ' O ' ' CD1' ' B' ' 349' ' ' LEU . . . -69.84 68.9 0.6 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.3 tp 175.04 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 3.8 t70 84.2 -175.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -132.86 145.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.699 ' N ' HD21 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.66 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 4.0 t 159.39 -61.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.5 152.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' B' ' 338' ' ' LEU . 0.8 OUTLIER 49.88 56.98 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.462 ' CG1' HD21 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -39.07 98.98 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.466 ' CG ' HG23 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.514 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -122.72 -40.4 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.81 93.7 1.45 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 85.52 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.038 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -166.68 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.92 87.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m 69.99 -73.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -158.68 148.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.456 ' O ' HD12 ' A' ' 11' ' ' LEU . 54.7 m -64.97 133.05 95.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 13.16 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 7' ' ' SER . 44.7 p -101.65 -12.21 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.48 -63.34 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.581 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.67 -33.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.472 ' N ' HD21 ' A' ' 11' ' ' LEU . 34.6 mt-30 -71.29 -41.81 69.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.5 m-20 -70.06 -30.03 67.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 18' ' ' LEU . 2.5 tt -64.55 -67.38 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -31.68 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttm-85 -77.68 -20.77 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -76.46 -51.52 11.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -46.92 -24.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 10.1 mptt -59.27 -34.24 72.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.1 -176.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.03 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.8 p 89.35 84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.619 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.74 -61.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.619 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -75.03 -99.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' GLN . 45.8 mt-30 -60.71 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.628 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.32 -59.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.4 pt20 -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -71.16 -22.97 61.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.525 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 3.0 mt-30 -73.34 -53.81 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.503 ' CG2' HD23 ' A' ' 31' ' ' LEU . 1.4 m -56.47 -48.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.14 -30.78 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.9 m-20 -61.41 -56.26 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -71.28 -40.39 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.83 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 8.3 ptpt -92.53 -47.51 7.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.506 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.6 m -75.4 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.9 m120 -143.87 101.86 4.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.94 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 49.1 tp60 -44.23 -26.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -78.02 -49.2 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -52.8 -24.99 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -58.69 -39.56 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.453 ' CB ' HD23 ' B' ' 316' ' ' LEU . . . -69.12 -59.38 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' CE1' ' HG2' ' A' ' 48' ' ' ARG . 3.5 t80 -53.23 -55.42 24.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -43.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.549 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -61.33 -39.16 89.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -69.18 -44.23 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.571 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -60.59 -51.24 70.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.717 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.7 t -70.69 -22.22 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.52 -11.47 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -95.06 -31.08 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.717 ' CD2' ' HA ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -95.47 -49.9 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -42.59 -27.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -71.83 -55.7 7.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 5.0 p30 -83.34 3.77 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.8 mt-30 -114.0 95.28 37.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.57 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.29 69.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.834 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' B' ' 305' ' ' THR . 1.4 t -59.31 -43.16 92.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' B' ' 304' ' ' THR . 14.3 t 50.89 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' B' ' 305' ' ' THR . 17.8 m 44.75 32.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.32 -3.55 59.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -111.49 13.24 27.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' B' ' 309' ' ' ARG . 1.9 mpt_? -134.52 -62.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.6 t30 61.56 138.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 0.5 OUTLIER 149.3 164.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.937 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 1.6 tt0 -33.39 -61.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -55.88 -45.17 78.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -58.73 -42.12 88.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' B' ' 312' ' ' GLU . 4.3 mm? -52.27 -43.81 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -73.54 -51.5 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' B' ' 321' ' ' SER . 3.3 mt-10 -38.96 -38.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.409 ' OE1' ' OG1' ' B' ' 304' ' ' THR . 6.6 tt0 -75.43 -48.14 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.56 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -70.28 -57.62 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' B' ' 316' ' ' LEU . 3.1 m -48.87 -50.54 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 38.9 t -57.66 -50.51 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.68 -31.15 71.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.475 ' CD2' ' HG ' ' A' ' 18' ' ' LEU . 3.5 mt -69.71 -41.52 75.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -54.09 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.68 56.5 4.14 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.488 ' NZ ' ' CD1' ' B' ' 343' ' ' LEU . 0.7 OUTLIER -45.12 135.71 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 5.2 m-20 -82.17 -43.64 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -46.04 -29.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.7 -32.62 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.357 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.04 -52.4 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.438 ' HB2' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.68 48.61 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.97 -22.41 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 4.5 mp -75.66 -52.28 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 30.6 m-20 -75.58 -12.92 60.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -37.64 -30.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.53 -42.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.467 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.9 mt -109.2 -19.86 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.07 -55.15 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.5 pp -104.63 15.13 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.484 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -61.03 -9.37 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 2.4 mppt? -88.17 -19.66 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.488 ' CD1' ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mp -88.64 -37.62 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.517 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 7.3 p -78.94 -3.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' B' ' 358' ' ' ARG . 0.3 OUTLIER -35.27 -42.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 151.85 104.93 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.94 67.29 0.25 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 87.6 41.99 6.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 49.69 70.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -162.27 68.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.422 HG13 ' O ' ' B' ' 344' ' ' VAL . 32.6 m -144.46 -173.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -97.93 103.04 14.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 352' ' ' LEU . 3.3 m -36.02 -46.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -38.89 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.8 mt 40.57 64.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.7 m -37.03 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.485 ' CB ' HG12 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.98 5.33 4.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.501 ' CB ' ' HG2' ' B' ' 345' ' ' GLN . 0.0 OUTLIER -128.75 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 147.87 67.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 88.39 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.6 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 t30 178.57 95.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -92.21 174.89 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' ILE . 63.0 m -98.25 24.62 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 80.87 159.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.26 142.34 86.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 -62.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' GLN . 56.3 m -38.83 -38.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -31.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -63.85 -48.08 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.15 -39.95 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' CG ' ' HG ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -65.93 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.58 -33.64 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 1.9 ttt85 -75.21 -27.74 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.1 m -69.83 -30.54 68.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' B' ' 323' ' ' LEU . 2.3 mm? -71.82 -30.16 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -52.91 -32.96 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.6 -177.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.94 -35.43 3.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.551 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.7 m 88.79 83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.74 -61.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 72.0 mt-30 -60.77 -49.63 76.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.8 OUTLIER -32.72 -59.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.539 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.41 -27.23 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' GLN . 5.7 mt-30 -69.61 -53.3 19.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -58.18 -52.19 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.99 -32.75 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.8 m-20 -59.95 -68.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -56.56 -48.79 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 -28.92 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -86.46 -50.38 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -3.66 20.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.7 m-80 -152.85 105.89 2.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -69.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.1 tp60 -46.16 -25.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 2.1 tm? -73.63 -49.91 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -54.08 -31.96 53.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.47 -44.5 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' B' ' 316' ' ' LEU . . . -67.06 -54.88 17.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 2.2 t80 -59.1 -55.99 27.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -48.74 -37.94 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -64.42 -49.53 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -74.94 -12.04 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.57 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -93.03 -28.96 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.593 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -98.98 -11.08 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -12.32 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.8 tppm? -86.04 -25.77 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.682 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.6 -49.8 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -46.91 -34.83 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' N ' HG11 ' A' ' 53' ' ' VAL . . . -67.23 -52.76 37.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.8 m-20 -61.81 -48.25 81.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -117.12 80.12 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.11 3.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -6.96 8.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.96 -0.439 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' B' ' 318' ' ' GLN . 0.5 OUTLIER 69.55 147.43 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.535 ' C ' ' CG1' ' B' ' 306' ' ' VAL . 0.1 OUTLIER -158.9 91.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.535 ' CG1' ' C ' ' B' ' 305' ' ' THR . 0.2 OUTLIER 169.39 -28.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.32 151.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 68.39 4.1 35.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -107.67 -29.58 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.285 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.551 ' CB ' ' CB ' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -118.27 -165.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' B' ' 314' ' ' ALA . 1.4 t70 -74.29 171.15 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' B' ' 315' ' ' LEU . 41.5 tt0 -43.17 -41.9 3.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -47.95 -41.22 24.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' B' ' 310' ' ' ASN . . . -63.59 -38.71 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.48 ' CA ' HD11 ' A' ' 11' ' ' LEU . 2.1 mp -56.84 -41.91 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.564 ' O ' ' CG1' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -76.88 -39.88 49.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 2.9 mt-10 -54.9 -31.64 60.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.491 ' HB3' ' CG2' ' B' ' 304' ' ' THR . 0.4 OUTLIER -75.3 -52.51 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.59 ' HG ' ' CG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.0 -55.21 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.564 ' CG1' ' O ' ' B' ' 316' ' ' LEU . 4.1 m -51.19 -39.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 3.1 m -63.93 -51.07 66.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -30.55 71.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' B' ' 319' ' ' LEU . 2.0 mt -69.18 -48.91 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -50.11 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.92 47.98 2.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -42.27 114.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 0.1 OUTLIER -75.05 -31.95 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.5 tp10 -47.28 -23.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -23.91 62.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.6 OUTLIER -67.3 -33.07 74.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . 0.418 HD21 ' N ' ' B' ' 332' ' ' ALA . 3.4 tt -86.43 -54.39 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.418 ' N ' HD21 ' B' ' 331' ' ' LEU . . . -79.38 55.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -45.67 -24.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' B' ' 332' ' ' ALA . 4.0 tp -81.09 -52.63 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' B' ' 337' ' ' ALA . 79.3 m-20 -60.15 -15.54 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -42.29 -27.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.32 -61.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.486 ' CD1' ' OD1' ' B' ' 341' ' ' ASP . 72.3 mt -101.86 -15.64 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.18 -53.63 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.515 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 1.8 pp -98.11 19.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.486 ' OD1' ' CD1' ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.1 -18.23 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.3 OUTLIER -82.07 -22.05 36.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' B' ' 343' ' ' LEU . 0.4 OUTLIER -83.23 -43.56 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.8 p -73.4 -4.51 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.457 ' CG ' ' HG2' ' B' ' 358' ' ' ARG . 2.5 tt0 -36.08 -45.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 161.37 176.33 33.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 171.48 -32.26 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 137.38 107.25 0.81 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 51.89 93.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.713 ' O ' ' O ' ' B' ' 351' ' ' VAL . 2.9 p-10 178.93 -150.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.713 ' O ' ' O ' ' B' ' 350' ' ' ASP . 3.2 p 49.34 152.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.546 ' H ' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -88.42 22.41 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.64 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.42 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.3 mt 55.55 58.22 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.6 m -38.48 98.72 0.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' B' ' 351' ' ' VAL . 18.2 Cg_endo -75.01 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.471 ' CB ' HD13 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -123.56 -43.42 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 112.8 81.92 1.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.0 OUTLIER 84.7 76.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 -179.962 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 177.17 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 57.23 160.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -142.65 -148.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.27 153.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.473 ' O ' HD12 ' A' ' 11' ' ' LEU . 7.4 m -67.63 131.35 92.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 12.44 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' SER . 3.3 m -101.52 -10.25 20.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -83.7 -62.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.48 -33.96 1.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' N ' HD21 ' A' ' 11' ' ' LEU . 2.1 mt-30 -68.87 -40.32 79.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' ALA . 38.9 m-20 -71.4 -29.25 64.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 12.1 tp -63.83 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.79 -31.31 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 20.2 ttm180 -75.77 -21.3 57.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 ' CG2' ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -76.66 -50.7 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 3.0 mm? -48.97 -29.05 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.0 mptm? -52.78 -35.21 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.675 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.23 -172.48 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.675 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.629 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.2 t 85.65 74.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.623 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 172.07 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -95.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLN . 28.8 mt-30 -58.67 -52.96 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.629 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.7 OUTLIER -28.35 -62.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.552 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -40.74 -49.43 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -74.61 -31.27 61.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.507 ' CB ' ' CG2' ' A' ' 17' ' ' THR . 7.6 mt-30 -65.7 -52.55 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.2 m -58.94 -54.64 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.14 -34.25 74.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -60.17 -68.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -55.67 -50.74 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.7 mt -50.76 -29.79 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 15.6 mttt -91.71 -29.55 16.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' ASN . 1.3 t -79.95 -9.79 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 15.1 m-80 -159.44 109.16 1.5 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.03 -66.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -47.17 -23.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -79.16 -50.32 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.571 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -49.72 -24.96 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.571 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -54.1 -35.06 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' CB ' HD23 ' B' ' 316' ' ' LEU . . . -68.71 -60.62 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLN . 6.5 t80 -60.9 -54.86 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -42.89 -48.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -61.44 -40.76 95.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 3.6 mtm180 -67.74 -50.17 58.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.02 -27.83 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' N ' HG21 ' A' ' 49' ' ' THR . . . -60.73 -8.43 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -93.79 -35.41 12.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -94.98 -42.24 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.48 -32.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.6 65.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.0 -34.84 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.7 pp0? -114.18 92.96 28.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 89.44 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -120.48 59.81 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 1.3 t -66.04 -167.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.407 ' O ' ' C ' ' B' ' 306' ' ' VAL . 0.2 OUTLIER -146.4 126.55 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.482 HG11 ' N ' ' B' ' 307' ' ' GLU . 40.9 t 40.07 -112.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . 0.482 ' N ' HG11 ' B' ' 306' ' ' VAL . 0.2 OUTLIER 74.7 135.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 69.52 -57.7 0.67 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -45.21 -59.05 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.494 ' HB3' ' HB1' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -69.97 -70.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 314' ' ' ALA . 0.3 OUTLIER 171.62 -173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 315' ' ' LEU . 0.6 OUTLIER -40.7 -59.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -42.31 -42.25 3.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' B' ' 310' ' ' ASN . . . -56.92 -41.73 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.565 ' O ' ' HG3' ' B' ' 318' ' ' GLN . 0.9 OUTLIER -62.32 -35.39 78.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.682 ' O ' ' CG2' ' B' ' 320' ' ' VAL . 0.4 OUTLIER -80.01 -27.93 39.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 7.5 mt-10 -63.22 -42.31 99.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -73.97 -47.48 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.549 ' CD2' ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -64.06 -49.91 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.682 ' CG2' ' O ' ' B' ' 316' ' ' LEU . 84.7 t -58.03 -54.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 22.8 t -53.5 -43.36 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.674 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.479 HD22 ' NZ ' ' B' ' 326' ' ' LYS . 6.6 mt -71.78 -46.53 58.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -52.77 58.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.49 44.3 3.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.674 ' NZ ' ' CZ ' ' B' ' 322' ' ' PHE . 7.5 tppt? -42.28 127.01 3.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.9 -38.85 22.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -24.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -54.24 -27.74 36.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.61 -29.7 59.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -54.14 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' B' ' 335' ' ' ASP . . . -80.18 52.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.75 -23.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -52.15 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' B' ' 337' ' ' ALA . 5.4 m-20 -68.78 -15.7 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.419 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 60.1 ttt180 -38.73 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.98 -62.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . 0.408 HD23 ' NZ ' ' A' ' 51' ' ' LYS . 7.7 mt -82.66 -28.81 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 70.94 1.35 39.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.487 ' HB ' ' CD1' ' B' ' 343' ' ' LEU . 2.6 pp -154.96 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.41 ' OD1' ' HA ' ' B' ' 357' ' ' PRO . 12.5 t70 -60.56 -13.9 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -24.66 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.487 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 15.0 mt -82.87 -24.71 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.555 HG21 ' CB ' ' B' ' 357' ' ' PRO . 1.8 m -99.54 -4.24 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -31.82 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 141.84 -155.5 25.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 170.64 41.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 119.18 30.9 1.49 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 9.0 tp 67.0 81.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 86.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.429 ' CG1' ' HA3' ' B' ' 346' ' ' GLY . 4.4 m -115.39 -112.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -136.11 22.52 3.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.425 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 37.33 51.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.87 140.84 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER 40.15 76.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -37.17 97.89 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.555 ' CB ' HG21 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.98 -25.59 11.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -87.67 -30.92 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 131.89 -62.99 0.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 35.7 t -139.55 91.44 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -132.19 95.2 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.93 145.9 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p -65.69 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.512 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -159.7 151.1 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.446 ' O ' HD12 ' A' ' 11' ' ' LEU . 34.8 m -66.05 130.0 94.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.481 ' O ' HD22 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 14.35 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 7' ' ' SER . 71.0 p -101.98 -11.63 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.66 -62.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.601 ' H ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.44 -33.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' N ' HD21 ' A' ' 11' ' ' LEU . 44.7 mt-30 -72.26 -40.75 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.3 m-20 -72.1 -29.1 63.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' CD1' ' CD1' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -65.95 -64.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.2 ttm180 -66.24 -28.97 69.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -71.96 -44.78 63.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.509 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 5.9 mt -56.72 -30.01 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 4.5 mmpt? -52.6 -28.01 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.706 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.3 p -54.72 -170.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.706 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.99 -34.2 4.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.684 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 83.1 86.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.633 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.94 -62.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.04 -96.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.5 mt-30 -61.24 -51.04 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.684 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 8.3 tm0? -30.12 -61.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.565 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.9 pt20 -40.83 -50.46 3.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.565 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.93 -27.93 61.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 3.4 mm-40 -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.557 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 1.2 m -63.79 -53.82 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.557 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.09 -40.01 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.4 m-20 -53.81 -68.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -57.07 -55.53 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -42.7 -29.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.3 mttm -85.88 -41.6 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -75.09 -2.88 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 8.8 m-80 -160.91 108.05 1.28 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.5 Cg_endo -74.92 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.512 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -48.03 -29.47 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -77.65 -35.56 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.524 ' HA ' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.17 -33.67 76.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -57.07 -38.6 73.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 7.8 t80 -54.34 -55.01 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -49.19 -42.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.2 mmpt? -62.24 -35.23 78.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 1.1 mm100 -71.59 -41.12 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -67.47 -50.41 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.67 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.99 -26.94 67.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -9.49 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.597 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 14.8 tppt? -92.65 -23.83 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.11 -44.18 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -54.2 -24.77 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.73 9.84 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.5 m-20 -136.53 -46.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.48 113.8 57.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.41 77.67 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.537 0.786 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.443 ' C ' ' OG1' ' B' ' 305' ' ' THR . 5.9 t 44.24 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 305' ' ' THR . . . . . 0.443 ' OG1' ' C ' ' B' ' 304' ' ' THR . 1.5 m -156.29 61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.663 ' O ' ' CG1' ' B' ' 306' ' ' VAL . 0.4 OUTLIER -172.74 31.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -46.24 127.59 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 86.38 -25.59 7.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.522 ' HD3' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -96.47 -7.47 34.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 110.272 -179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' B' ' 309' ' ' ARG . 1.9 t30 -35.48 156.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.661 ' O ' ' N ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER 156.83 163.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.526 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.5 tt0 -37.36 -60.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.522 ' NZ ' ' HD3' ' B' ' 309' ' ' ARG . 0.5 OUTLIER -64.14 -28.82 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -75.29 -32.43 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.04 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' B' ' 312' ' ' GLU . 0.2 OUTLIER -60.75 -49.51 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -44.99 -41.65 7.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 16.3 tp60 -67.27 -42.31 84.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.591 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.24 -57.95 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.591 ' N ' ' HG ' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -56.84 -40.69 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 22.3 t -64.39 -41.11 96.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.578 ' CE1' ' NZ ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -72.22 -30.18 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.516 ' CD1' ' NH1' ' A' ' 48' ' ' ARG . 7.3 mt -67.44 -44.55 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.84 49.72 3.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.444 ' CE ' ' HA ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -45.65 121.42 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -80.86 -31.4 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.08 -24.4 6.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.427 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 1.2 m -54.97 -26.47 36.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.41 -44.42 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . 0.445 ' CB ' ' HE2' ' B' ' 342' ' ' LYS . . . -79.61 53.5 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -48.09 -23.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.53 -51.76 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' B' ' 337' ' ' ALA . 73.2 m-20 -66.6 -14.83 62.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.427 ' HG2' ' CG2' ' B' ' 329' ' ' THR . 0.3 OUTLIER -43.58 -25.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -38.4 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 1.7 mt -96.49 -19.99 18.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.3 -36.63 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.515 ' CG1' ' NH2' ' A' ' 48' ' ' ARG . 2.8 pp -124.36 21.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.412 ' OD2' ' C ' ' B' ' 341' ' ' ASP . 0.7 OUTLIER -52.26 -24.19 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -72.49 -25.5 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' B' ' 340' ' ' ILE . 2.9 mm? -84.7 -26.98 27.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.568 ' CG1' ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -82.01 -13.4 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 344' ' ' VAL . 22.6 tt0 -31.77 -44.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 179.0 178.61 48.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -172.03 -81.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -120.63 -82.93 0.73 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.77 90.82 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' B' ' 351' ' ' VAL . 2.5 p30 43.09 -154.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.455 ' N ' ' OD1' ' B' ' 350' ' ' ASP . 0.1 OUTLIER -157.75 102.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 37.65 -103.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.33 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -43.19 153.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.3 OUTLIER 39.22 54.56 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.1 m -38.34 109.87 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.446 ' HD2' ' CD2' ' B' ' 361' ' ' LEU . 18.4 Cg_endo -75.0 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.18 -45.61 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 123.08 89.19 0.9 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.522 ' C ' HD11 ' B' ' 361' ' ' LEU . 1.8 t 79.01 67.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.574 ' CD1' ' HB3' ' B' ' 358' ' ' ARG . 1.2 mp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -146.3 148.82 32.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -44.68 113.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p 43.95 -158.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.476 HD13 ' CB ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -151.42 154.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.45 141.94 41.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -73.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLN . 90.5 p -33.55 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 40' ' ' LEU . . . -39.04 -41.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -53.11 -48.52 67.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.4 pt20 -57.87 -38.05 75.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.6 -34.97 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CG ' HD23 ' B' ' 319' ' ' LEU . 0.4 OUTLIER -66.71 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD22 ' CD2' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -51.39 -31.6 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.6 ttm180 -76.03 -29.96 58.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -66.95 -38.46 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' B' ' 323' ' ' LEU . 3.6 mm? -68.26 -31.02 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.2 mttt -52.57 -35.72 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.95 -179.18 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.049 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.29 3.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.7 p 88.5 83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.597 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.78 -61.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.597 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.0 -105.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.4 mm100 -60.12 -46.62 89.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 7.0 tm0? -34.61 -59.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.557 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -44.11 -44.67 7.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.557 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.37 -28.0 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 26' ' ' GLN . 7.8 mt-30 -70.88 -44.09 67.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.581 ' CG2' ' N ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -62.56 -54.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.07 -34.94 75.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -58.64 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -55.39 -56.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.46 -29.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 6.2 mtmt -88.86 -41.21 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m -75.92 -0.34 21.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.516 ' CB ' HD12 ' A' ' 40' ' ' LEU . 67.0 m-80 -163.56 114.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.472 ' CB ' HG13 ' A' ' 6' ' ' ILE . 3.3 tp60 -51.18 -43.05 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -59.8 -53.55 56.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.55 -41.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -58.26 -39.3 78.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' B' ' 316' ' ' LEU . . . -69.08 -56.28 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 2.3 t80 -61.22 -55.77 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -44.53 -49.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -68.23 -28.84 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.2 mm-40 -72.26 -38.04 68.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.633 ' HD3' ' CE1' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -80.73 -35.1 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.595 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -81.87 -15.69 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 46' ' ' LYS . . . -62.72 -8.76 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.6 tppm? -90.96 -24.81 20.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.725 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.96 -49.26 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -27.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.01 31.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -72.21 -44.51 62.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.2 pp0? -108.51 101.45 43.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.01 25.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.12 61.17 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 303' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 304' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' B' ' 303' ' ' PRO . 0.5 OUTLIER 83.49 151.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.353 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 40.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 306' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' B' ' 318' ' ' GLN . 22.5 m -136.89 11.58 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.07 131.53 46.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 101.18 -15.3 57.92 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 309' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' B' ' 310' ' ' ASN . 0.0 OUTLIER -111.43 -71.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 310' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 1.4 t-20 60.63 130.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 314' ' ' ALA . 5.1 m-20 154.0 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 312' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' B' ' 311' ' ' ASP . 13.1 tt0 -30.83 -48.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' B' ' 317' ' ' GLU . 0.0 OUTLIER -63.02 -54.55 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' B' ' 311' ' ' ASP . . . -56.75 -33.52 66.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 315' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 11' ' ' LEU . 4.2 mm? -55.2 -57.13 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . 0.489 ' C ' HG12 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.01 -54.22 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' B' ' 321' ' ' SER . 61.6 mm-40 -38.81 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 318' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 11.5 tt0 -71.84 -48.09 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 319' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' B' ' 316' ' ' LEU . 0.1 OUTLIER -72.5 -48.97 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 320' ' ' VAL . . . . . 0.489 HG12 ' C ' ' B' ' 316' ' ' LEU . 1.3 m -58.36 -36.91 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 321' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 9.2 t -63.43 -53.77 47.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 322' ' ' PHE . . . . . 0.554 ' CD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.532 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 6.1 mt -69.57 -42.68 74.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.6 m -53.25 -47.63 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -101.21 55.43 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.532 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.8 OUTLIER -43.64 125.3 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.15 -35.84 48.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 328' ' ' GLU . . . . . 0.4 ' HB2' ' NZ ' ' B' ' 342' ' ' LYS . 45.3 mm-40 -45.88 -27.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -32.38 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -31.98 71.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.42 -52.77 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.45 50.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -48.12 -23.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.42 -47.44 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -72.03 -15.29 62.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 336' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -37.17 -31.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 337' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -44.77 -55.36 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.33 -17.5 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.31 -46.85 3.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 340' ' ' ILE . . . . . 0.491 ' O ' ' CD1' ' B' ' 340' ' ' ILE . 2.0 pp -108.43 21.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.806 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . 0.481 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -59.52 -13.95 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 342' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -87.51 -5.94 58.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 343' ' ' LEU . . . . . 0.449 HD22 ' NH2' ' A' ' 48' ' ' ARG . 1.8 mm? -101.12 -47.19 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 344' ' ' VAL . . . . . 0.517 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 1.6 p -61.22 -12.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.1 pt20 -29.29 -43.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 155.92 -139.59 6.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 176.62 -39.13 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 164.76 41.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 349' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.6 tp -177.5 -57.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 350' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 3.8 m-20 156.88 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -140.73 -179.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 352' ' ' LEU . . . . . 0.576 ' C ' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -90.91 9.7 29.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 33.9 t -81.03 148.27 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -113.71 -17.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER -90.75 22.16 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 356' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.7 m 39.17 90.45 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 357' ' ' PRO . . . . . 0.556 ' HG3' ' CB ' ' B' ' 353' ' ' SER . 18.2 Cg_endo -75.04 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . 0.52 ' CB ' HD12 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -121.98 -68.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 359' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.56 60.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 360' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 93.3 77.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' B' ' 361' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.511 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -162.77 144.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 128.51 45.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 1.94 7.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m -103.03 -23.18 13.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -72.58 -54.7 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.19 -38.59 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.89 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.4 mm-40 -64.45 -32.98 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.3 m-20 -74.06 -32.54 63.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.01 HD23 ' HG ' ' B' ' 319' ' ' LEU . 10.9 tp -63.56 -62.16 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -32.34 69.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 19.6 ttm-85 -76.04 -20.67 57.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.8 m -75.37 -51.16 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.807 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.5 mm? -48.38 -30.76 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.29 -35.01 49.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.7 -174.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.647 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.01 -35.06 3.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.12 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.641 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.79 -62.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.08 -96.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -60.61 -52.07 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.4 tm0? -29.9 -61.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.526 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -41.26 -48.84 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -73.9 -30.28 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.753 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.2 mm100 -67.12 -52.31 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -59.76 -54.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.53 -35.78 76.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -57.45 -68.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -57.67 -55.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.4 mt -44.18 -29.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.5 mttm -83.26 -47.6 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.01 0.63 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.079 ' CB ' HD12 ' A' ' 40' ' ' LEU . 19.0 m-80 -158.0 107.95 1.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -45.17 -36.84 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.079 HD12 ' CB ' ' A' ' 37' ' ' ASN . 44.1 mt -67.69 -54.14 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.643 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -48.46 -49.21 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.01 -41.31 62.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.62 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -54.5 -54.37 41.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.41 -42.87 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.87 -40.82 94.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -65.84 -45.71 81.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.589 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.2 ttt180 -61.14 -47.31 86.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -72.44 -20.46 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -62.67 -9.07 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.777 ' HG2' HD11 ' B' ' 340' ' ' ILE . 5.6 tptt -93.54 -24.95 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.85 -49.49 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -39.79 -32.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.55 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.23 -45.99 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.748 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' B' ' 313' ' ' LYS . 6.8 tt0 -39.27 -59.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.803 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.87 -35.29 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.803 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.82 -33.57 75.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.532 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.4 mm? -64.33 -60.98 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.4 pp -61.69 -28.29 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.622 ' HA ' HG12 ' B' ' 320' ' ' VAL . 34.1 mm-40 -71.51 -28.17 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -73.45 -48.29 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 1.046 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -67.95 -49.07 63.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 1.046 ' N ' HD13 ' B' ' 319' ' ' LEU . 2.8 p -58.31 -41.71 81.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 7.4 t -59.15 -47.62 84.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -30.44 71.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.807 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.4 mt -64.15 -49.51 71.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -43.93 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.43 50.57 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.448 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.49 115.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 1.7 m-20 -84.19 -25.21 29.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.93 -20.14 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.611 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.3 OUTLIER -51.09 -31.45 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.9 OUTLIER -62.72 -39.22 93.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -47.81 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.43 51.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.17 -21.88 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.36 -52.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.535 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 15.1 m-20 -68.09 -16.29 63.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.611 ' CG ' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -43.24 -27.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -40.49 -62.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.94 HD23 ' OD1' ' B' ' 341' ' ' ASP . 4.0 mm? -95.0 -19.31 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.59 -34.79 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.777 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.9 pp -127.85 15.14 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.94 ' OD1' HD23 ' B' ' 338' ' ' LEU . 0.2 OUTLIER -54.91 -19.69 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.579 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -75.89 -14.9 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' B' ' 340' ' ' ILE . 4.0 mp -88.96 -47.69 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.696 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.3 p -67.75 -9.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.522 ' C ' ' O ' ' B' ' 344' ' ' VAL . 44.3 tt0 -28.96 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.696 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.886 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -144.38 -92.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.7 OUTLIER 154.94 48.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.454 ' HB2' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -133.1 109.3 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.734 HD13 HD21 ' B' ' 338' ' ' LEU . 0.4 OUTLIER 55.1 93.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.6 m -34.55 95.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.695 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.67 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.46 -41.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.02 -53.17 0.55 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.564 ' C ' HD22 ' B' ' 361' ' ' LEU . 9.9 t -147.06 86.59 1.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.803 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OE1' ' A' ' 39' ' ' GLN . 37.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 176.41 144.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.05 135.9 87.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.07 4.18 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -101.55 -23.4 14.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -72.34 -56.42 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.23 -40.62 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.93 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.6 mt-30 -63.98 -34.92 79.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ALA . 28.8 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.843 HD11 ' CD2' ' A' ' 44' ' ' PHE . 3.2 tp -66.09 -69.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -51.06 -39.15 55.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.786 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -62.51 -31.22 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.006 HD22 HD21 ' B' ' 323' ' ' LEU . 5.3 mt -72.53 -29.25 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' B' ' 322' ' ' PHE . 31.8 mmtt -53.08 -25.7 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.648 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.39 -173.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 -36.59 2.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.631 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.8 m 87.68 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.606 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 157.33 -61.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -98.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -61.92 -49.69 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.5 tm0? -30.75 -60.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.576 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -41.65 -51.07 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.612 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -72.85 -25.92 61.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.786 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.3 mm100 -67.96 -52.42 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.38 -51.63 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.14 -40.18 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.85 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.34 -53.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.29 -28.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 33' ' ' ILE . 15.3 mttm -87.4 -35.98 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' ILE . 73.0 m -85.67 1.85 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -163.41 105.01 0.97 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.67 -32.29 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 6' ' ' ILE . 4.2 mm? -77.43 -49.7 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.93 -52.29 25.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.68 -41.85 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.9 -60.59 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.8 t80 -57.42 -55.49 34.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.683 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.05 -34.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -74.57 -34.97 63.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.702 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.58 -45.28 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -70.44 -38.77 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.721 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -76.27 -20.76 57.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.4 -9.86 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.75 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.1 tppm? -89.02 -25.32 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.51 -51.49 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.05 -32.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.08 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.6 m-20 -63.27 -45.24 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.775 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -56.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.726 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.29 -35.56 79.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.775 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.64 -34.21 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.71 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -64.77 -61.71 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -59.0 -31.63 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.43 -33.13 74.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -67.17 -46.57 73.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 1.033 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.35 -35.53 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.2 t -62.06 -54.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -45.69 90.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.436 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 4.2 t80 -57.98 -32.04 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 1.006 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -72.54 -44.51 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -40.04 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -102.51 43.53 1.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.709 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.7 OUTLIER -41.25 121.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 2.2 m-20 -73.87 -43.88 57.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.438 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.9 OUTLIER -46.6 -24.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 15.7 m -54.78 -47.79 73.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.2 OUTLIER -54.19 -29.77 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 -51.65 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.12 53.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.537 ' HB2' HH21 ' B' ' 336' ' ' ARG . 8.1 pt-20 -47.31 -22.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -77.88 -52.42 8.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -71.02 -15.69 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' B' ' 333' ' ' GLU . 0.4 OUTLIER -37.88 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.58 -51.06 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.931 HD12 ' OD2' ' B' ' 341' ' ' ASP . 37.0 mt -107.67 -14.24 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.87 -54.92 2.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.744 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.8 pp -96.7 19.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.931 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -52.73 -27.35 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.73 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -70.59 -25.47 63.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.5 mm? -77.91 -51.64 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.771 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.9 p -67.68 -11.96 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 344' ' ' VAL . 2.1 tt0 -34.66 -43.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' B' ' 344' ' ' VAL . 0.1 OUTLIER 39.75 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 155.36 -47.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.0 126.48 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.71 75.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.683 HG21 ' O ' ' B' ' 359' ' ' GLY . 2.7 m -43.11 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.771 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.0 3.62 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' B' ' 361' ' ' LEU . 22.5 ttt-85 -125.44 -46.17 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.683 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 163.98 -62.88 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.471 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -131.46 -53.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.789 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.501 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -170.58 159.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.501 ' H ' HD13 ' A' ' 6' ' ' ILE . 48.0 m -63.68 138.07 97.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.0 Cg_endo -75.07 -65.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' GLN . 3.4 m -37.19 -39.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.4 -29.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' B' ' 315' ' ' LEU . 0.1 OUTLIER -66.18 -50.75 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -60.12 -30.47 69.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -73.26 -43.86 60.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 40' ' ' LEU . 3.9 tt -59.78 -59.73 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -30.22 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 6.0 ttt180 -75.16 -21.38 58.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.742 HG23 ' CB ' ' A' ' 29' ' ' GLN . 13.7 m -76.59 -52.87 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.747 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.4 mm? -47.88 -26.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mptp? -55.95 -36.96 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.589 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.27 -177.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -38.52 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 m 91.59 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.593 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.12 -60.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -102.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.94 -49.58 75.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.685 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -32.99 -60.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.37 -48.83 3.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.78 -27.96 61.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.742 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.5 mm100 -68.87 -51.55 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.07 -53.18 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.42 -32.29 73.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -59.21 -66.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.32 -42.29 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -57.26 -27.14 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 9.6 mtmt -90.65 -36.55 14.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -73.87 -12.75 60.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 12.2 m-80 -153.34 105.99 2.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.2 tp-100 -58.06 -34.31 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -72.26 -48.97 38.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.08 -23.72 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.563 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.98 -40.26 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' CG2' ' B' ' 320' ' ' VAL . . . -67.59 -54.79 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.5 t80 -56.14 -55.91 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.05 -35.82 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.3 mmpt? -75.78 -33.22 60.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HB3' HD13 ' B' ' 323' ' ' LEU . 2.7 mm-40 -72.52 -46.69 53.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.6 -37.67 79.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.703 HG22 ' HA ' ' A' ' 46' ' ' LYS . 6.6 t -78.99 -21.57 46.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.18 -9.16 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' B' ' 340' ' ' ILE . 16.4 tppt? -89.7 -26.21 20.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.913 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.37 -52.89 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.27 -31.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -75.23 -57.12 4.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.4 m-20 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.755 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.55 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.1 tt0 -38.04 -56.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.751 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.29 -36.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.755 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.84 -32.35 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.578 ' HA ' HD13 ' A' ' 11' ' ' LEU . 10.9 mp -65.44 -62.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.796 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.33 -30.51 66.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.42 -34.98 76.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.66 -49.73 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.862 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -73.08 -42.48 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.862 ' N ' HD13 ' B' ' 319' ' ' LEU . 21.1 t -53.23 -54.27 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.99 77.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -58.41 -31.51 67.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.747 HD21 ' HG ' ' A' ' 18' ' ' LEU . 4.6 mt -69.05 -45.79 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -53.37 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.79 49.25 3.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.559 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.0 OUTLIER -41.5 126.51 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 -35.5 43.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -47.3 -28.85 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.67 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.53 -32.38 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -58.34 -53.92 52.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 13.4 tp -78.66 -42.44 28.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.63 51.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 5.8 pt-20 -56.59 -21.71 28.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' B' ' 334' ' ' LEU . 1.7 tm? -83.43 -45.45 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.748 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.4 m-20 -72.44 -15.15 61.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.67 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -41.43 -27.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -37.77 -61.14 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' B' ' 341' ' ' ASP . 5.8 mp -96.96 -18.98 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.88 -45.81 3.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.735 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -109.91 23.1 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.594 ' CG ' HD13 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -52.48 -33.01 42.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.913 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -64.36 -21.07 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -81.37 -45.97 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.657 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -79.65 -4.55 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.532 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.9 tt0 -35.13 -46.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.913 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -48.7 -23.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.546 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.9 OUTLIER 54.72 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -53.31 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.3 mp -124.44 47.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.9 m 29.12 92.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.657 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 3.61 5.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.777 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -127.89 -67.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.543 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 152.01 71.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.9 t 85.46 78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.777 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.4 144.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m -68.48 149.91 97.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.623 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -67.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.5 m -33.79 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.717 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.48 -58.43 8.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.068 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.94 -31.28 28.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.589 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.24 -33.05 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.02 -33.25 61.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.055 HD12 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -66.09 -65.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.06 -34.09 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 18.4 ttt180 -73.5 -28.47 61.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -68.33 -46.16 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -53.94 -19.82 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 16.2 mmtm -63.34 -35.23 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.32 -178.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -34.8 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.8 p 89.49 84.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.6 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.99 -61.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.987 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.92 -102.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.6 mm-40 -61.14 -50.97 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tm0? -32.59 -60.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.522 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -42.31 -48.2 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.522 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -73.25 -27.19 61.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.705 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.3 mt-30 -68.5 -52.25 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.889 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.94 -52.0 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -32.23 73.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -60.18 -61.8 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -64.35 -62.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -38.39 -33.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 13.3 mttm -66.58 -53.43 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.2 m -94.18 16.82 13.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.717 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 9.5 m-80 -134.58 87.25 32.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -50.02 -21.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.055 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -82.86 -46.47 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 13.6 ttt -59.18 -26.91 65.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.59 -42.21 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -60.94 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' HB2' HD11 ' A' ' 14' ' ' LEU . 1.2 t80 -53.49 -57.54 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.617 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.65 -37.22 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.4 mmpt? -72.59 -34.07 67.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.34 -46.82 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 ptm180 -69.5 -44.47 71.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.4 t -71.78 -23.0 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -63.04 -9.86 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' B' ' 340' ' ' ILE . 9.7 tppt? -90.23 -25.89 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.864 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.46 -52.44 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.32 -33.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -65.19 -55.57 17.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.0 m120 -68.46 -37.36 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.6 pp0? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.613 ' C ' HD13 ' B' ' 315' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.566 ' O ' HD23 ' B' ' 316' ' ' LEU . 0.9 OUTLIER -38.86 -53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.327 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.917 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.49 -33.79 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -73.61 -27.3 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.613 HD13 ' C ' ' B' ' 311' ' ' ASP . 11.0 mp -65.88 -61.39 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -63.73 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.4 mm-40 -63.76 -37.79 88.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.26 -50.0 69.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.861 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.13 -33.72 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 316' ' ' LEU . 25.3 t -64.05 -54.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -43.15 71.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -66.75 -32.37 73.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.0 mt -68.97 -45.22 71.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -54.1 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.68 53.77 4.57 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.655 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.2 tppp? -45.69 117.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.98 56.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.47 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 15.5 tp10 -50.41 -31.73 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 29.0 m -54.98 -29.92 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -56.37 -53.6 55.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.72 -50.11 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.31 52.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.87 -23.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 334' ' ' LEU . 1.8 tm? -77.32 -52.14 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.618 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 0.6 OUTLIER -65.23 -16.47 63.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -44.4 -26.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -39.64 -61.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -94.7 -17.31 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 80.81 -49.88 4.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -108.07 20.05 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.517 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.08 -27.75 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.729 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -71.91 -20.22 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.6 mm? -84.83 -47.84 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.857 ' O ' HG11 ' B' ' 351' ' ' VAL . 5.8 p -73.75 -3.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.497 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -40.11 -42.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.857 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.864 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.86 -3.58 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.42 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.1 OUTLIER 64.04 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -38.88 155.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.4 mt 41.39 63.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.2 m -37.53 98.25 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.827 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.97 4.93 4.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 40.0 ttt180 -121.94 -45.88 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 146.88 -36.22 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.8 t -169.49 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.787 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -176.51 154.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 m -60.43 140.57 91.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -53.66 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -38.42 -40.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -42.97 -31.1 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.714 HD13 HD12 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -62.28 -47.32 84.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.504 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.0 -32.66 73.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.54 -34.26 62.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.824 HD12 ' HG ' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -69.1 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.036 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.86 -36.48 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -71.91 -35.9 69.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.2 m -59.32 -37.97 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 HD21 ' B' ' 323' ' ' LEU . 2.3 mt -72.05 -30.92 65.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE2' HD21 ' A' ' 15' ' ' LEU . 2.3 mptp? -51.68 -23.83 4.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.601 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -62.6 -176.76 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.07 -34.92 3.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 t 89.15 84.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.61 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.98 -101.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.43 1.753 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' GLN . 15.6 mt-30 -60.78 -50.72 72.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -32.01 -59.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -42.31 -50.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -72.26 -26.02 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.83 -52.53 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.716 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.58 -51.6 69.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.4 -31.7 72.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.3 m-20 -61.76 -68.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -55.41 -46.96 78.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -53.68 -28.46 33.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -89.53 -50.48 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 24.1 m -74.39 0.56 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.723 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.2 m-80 -157.34 108.05 1.86 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -50.43 -40.11 49.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 37' ' ' ASN . 3.4 mm? -60.73 -53.53 56.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -50.98 -42.92 60.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.589 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.7 -48.93 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.788 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.7 t80 -54.54 -58.86 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.645 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -45.51 -38.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.2 mmpt? -66.28 -39.6 89.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' PHE . 15.3 mm-40 -67.55 -43.96 79.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.583 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -65.19 -44.7 87.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.636 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -68.79 -27.16 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -11.56 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.862 ' HD2' HD23 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -89.7 -28.59 19.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.827 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -101.76 -46.62 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -52.58 -26.4 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.525 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -89.37 22.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 19.9 m120 -149.92 -48.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 4.9 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' B' ' 316' ' ' LEU . 32.5 tt0 -57.1 -52.37 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.82 -33.82 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -64.0 -38.06 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.714 HD12 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -62.61 -60.51 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -56.97 -28.93 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.438 ' HG3' ' HZ2' ' B' ' 313' ' ' LYS . 5.1 mm-40 -68.25 -36.55 79.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.34 -48.76 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.863 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -72.09 -41.31 67.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.863 ' N ' HD13 ' B' ' 319' ' ' LEU . 25.3 t -56.47 -53.72 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -51.87 65.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.664 ' HE1' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -56.89 -31.89 65.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.816 HD21 HD22 ' A' ' 18' ' ' LEU . 5.4 mt -67.28 -44.49 79.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -54.16 36.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.69 45.7 2.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.766 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 4.3 tppp? -41.93 125.66 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -39.39 71.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.16 -23.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 32.4 m -66.37 -28.19 68.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.58 -38.01 80.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.79 -50.38 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.28 51.74 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -47.6 -23.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -52.32 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.703 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.6 m-20 -68.33 -16.03 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 66.8 ttt-85 -39.53 -28.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.533 ' HB3' HD12 ' B' ' 338' ' ' LEU . . . -48.0 -48.17 32.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.862 HD23 ' HD2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -88.55 -30.61 19.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.532 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.65 -4.02 23.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 51' ' ' LYS . 2.4 pp -156.41 21.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' B' ' 338' ' ' LEU . 5.7 t70 -54.98 -19.4 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -25.91 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.766 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 10.1 mt -84.04 -32.03 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.936 HG11 HD21 ' B' ' 352' ' ' LEU . 1.9 t -76.1 -14.92 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -30.91 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.628 HG23 ' N ' ' B' ' 352' ' ' LEU . 32.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.936 HD21 HG11 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -123.1 -38.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 92.92 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.41 -70.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' B' ' 357' ' ' PRO . 13.5 mt -98.2 70.14 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.624 HG12 HD23 ' B' ' 361' ' ' LEU . 4.4 m -35.8 97.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.48 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.01 1.74 7.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.815 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.81 -42.64 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 116.26 78.22 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.509 ' C ' HD22 ' B' ' 361' ' ' LEU . 4.4 p 83.08 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.755 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 173.92 140.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -67.72 148.42 98.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.633 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 9.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -101.63 -10.36 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.35 -63.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.835 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.84 -31.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.59 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.0 mt-30 -75.35 -41.17 57.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.43 -68.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.75 -33.12 21.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 7.6 ttm180 -75.62 -28.7 58.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.798 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -68.25 -40.29 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.82 ' CD1' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -63.38 -30.89 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -51.27 -34.14 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.623 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.5 -175.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -35.39 3.16 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.779 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.605 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.1 m 88.74 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.634 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.23 -62.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.99 -95.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 31.1 mt-30 -59.67 -52.69 64.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -30.16 -60.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -41.65 -49.57 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.542 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -73.28 -27.63 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.798 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.8 mm100 -69.57 -53.82 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -57.02 -52.84 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.11 -69.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.765 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.86 -60.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.485 HD13 HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -39.0 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 mtmp? -86.61 -53.36 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.8 m -77.11 -0.38 24.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 33' ' ' ILE . 7.1 m120 -142.65 98.91 5.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -29.06 8.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -77.71 -45.5 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' CD2' HG21 ' A' ' 6' ' ' ILE . 3.8 mm? -60.87 -50.85 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.502 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 ptt? -48.52 -41.84 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -61.39 -46.44 90.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.97 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.6 t80 -58.65 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.1 -37.87 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.6 mmpt? -66.58 -40.67 89.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.734 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.9 OUTLIER -74.98 -23.81 58.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.519 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.24 -33.79 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t -87.67 -15.37 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -9.46 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.645 ' CB ' HD11 ' B' ' 340' ' ' ILE . 1.0 OUTLIER -88.93 -25.24 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -109.01 -51.82 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.99 -32.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 1.2 m-20 -63.25 -46.61 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.1 pp0? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.635 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.653 ' O ' HD23 ' B' ' 316' ' ' LEU . 22.9 tt0 -40.0 -55.14 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.976 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -61.27 -33.07 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.976 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -72.29 -30.44 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -65.2 -62.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 3.7 mm-40 -65.53 -34.88 79.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -66.1 -47.88 72.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -72.09 -33.88 68.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.4 t -64.07 -54.39 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -38.26 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -70.97 -31.7 68.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.82 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.2 mt -70.45 -44.31 68.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -50.16 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.44 52.0 2.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.614 ' HZ3' HD12 ' A' ' 18' ' ' LEU . 2.6 tppp? -41.0 118.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.94 83.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.5 -30.76 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.543 HG23 ' HA ' ' B' ' 336' ' ' ARG . 55.1 m -51.37 -38.1 51.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.66 -46.59 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.1 tt -74.3 -44.76 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.46 51.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.0 -23.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.2 OUTLIER -80.54 -47.81 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.729 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 30.3 m-20 -70.33 -14.97 62.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.8 OUTLIER -34.46 -36.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.58 -62.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.467 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -99.23 -16.32 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.47 ' O ' ' CE ' ' B' ' 342' ' ' LYS . . . 69.33 -52.03 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.645 HD11 ' CB ' ' A' ' 51' ' ' LYS . 2.5 pp -97.76 20.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.544 ' HA ' HG12 ' B' ' 344' ' ' VAL . 3.0 t0 -52.53 -19.19 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -77.18 -27.77 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.38 -45.76 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.806 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.4 p -73.25 -4.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 3.6 tt0 -41.4 -46.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.491 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.491 ' CG1' ' HA2' ' B' ' 346' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.86 52.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.442 ' N ' HG23 ' B' ' 351' ' ' VAL . 20.6 m 37.4 -99.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER 42.24 -162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER -41.32 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.5 m -35.23 96.49 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.806 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.09 4.08 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.8 ' CB ' HD11 ' B' ' 361' ' ' LEU . 5.6 ttp85 -123.89 -41.67 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 139.67 -42.41 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.479 ' C ' HD22 ' B' ' 361' ' ' LEU . 6.1 t -158.93 88.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.816 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.782 HD11 ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -173.42 148.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -70.25 140.84 88.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.917 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -18.79 18.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -82.76 -39.91 21.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 37' ' ' ASN . . . -51.09 -60.66 2.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.935 HD13 HD12 ' B' ' 315' ' ' LEU . 0.7 OUTLIER -42.54 -53.19 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 11' ' ' LEU . 26.7 mt-30 -55.5 -44.91 77.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 2.3 m-20 -59.74 -32.71 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.969 HD22 ' HG ' ' B' ' 319' ' ' LEU . 7.0 tt -69.16 -59.46 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' B' ' 322' ' ' PHE . 1.5 tm? -53.39 -39.04 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.19 -24.95 57.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.07 -31.31 65.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.952 HD22 HD21 ' B' ' 323' ' ' LEU . 3.8 mt -75.75 -23.41 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.49 -21.51 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.628 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -58.6 -175.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -34.23 4.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.527 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.0 t 86.82 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.627 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.02 -62.16 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.627 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.3 mt-30 -60.66 -51.94 67.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.65 ' O ' HG13 ' A' ' 30' ' ' VAL . 9.2 tm0? -30.77 -60.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -43.72 -50.73 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.2 mt-30 -71.61 -24.02 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.764 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.8 mt-30 -70.21 -50.62 38.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.39 -51.5 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.533 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -64.33 -33.3 75.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.5 m-20 -58.65 -59.32 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.54 -60.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -35.69 -34.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.8 mttm -64.74 -53.51 46.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' ILE . 43.1 m -100.58 23.69 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.6 m-80 -128.53 90.09 47.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.782 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.5 Cg_endo -74.98 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.443 ' CB ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -70.96 -19.85 62.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.635 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -85.07 -55.23 4.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.562 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -49.13 -49.09 43.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.38 -41.69 66.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.19 -60.59 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.705 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.4 t80 -54.98 -56.27 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.38 -43.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.44 -33.54 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.6 mm100 -68.63 -39.02 80.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.629 HH21 ' CG1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -72.14 -46.23 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 t -67.33 -26.76 66.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.77 -11.26 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.748 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.6 OUTLIER -89.87 -26.46 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.12 -36.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -62.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.31 -51.63 66.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.811 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.8 OUTLIER -38.49 -56.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.683 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.1 -31.79 73.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.811 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -69.3 -33.21 72.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.935 HD12 HD13 ' A' ' 11' ' ' LEU . 4.4 mm? -64.82 -61.65 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.829 ' O ' HG23 ' B' ' 320' ' ' VAL . 1.6 pp -59.47 -31.73 69.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -68.24 -32.78 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 1.8 tt0 -66.82 -44.48 81.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.969 ' HG ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.45 -39.84 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 316' ' ' LEU . 41.9 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.86 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.685 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -57.88 -29.64 65.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.952 HD21 HD22 ' A' ' 18' ' ' LEU . 5.8 mt -71.01 -46.24 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.13 -52.41 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.21 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.093 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.784 ' NZ ' HD23 ' B' ' 323' ' ' LEU . 7.1 tppt? -45.57 129.26 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -24.64 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.15 -25.6 33.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.608 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.92 -41.09 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.77 -64.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.42 -45.96 90.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.41 50.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 7.9 pt-20 -54.79 -22.15 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -37.23 24.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.818 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 9.4 m-20 -76.49 -16.25 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.608 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.5 mtm180 -39.15 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.02 -53.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 51' ' ' LYS . 3.8 mm? -110.2 -10.2 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.36 -53.85 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.748 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -114.66 21.46 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 1.1 t0 -46.94 -41.84 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.623 ' CD ' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -52.62 -32.78 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.723 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.54 -27.74 45.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.855 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.2 t -85.35 -10.04 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 12.4 pt20 -36.45 -43.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.835 HG23 ' H ' ' B' ' 353' ' ' SER . 19.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.638 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -132.75 25.78 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.835 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.5 t 36.6 39.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.19 144.0 29.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER 40.1 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.655 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.1 m -37.21 97.75 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.469 ' HB2' ' N ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -75.03 -10.85 21.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.739 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -111.13 -31.41 7.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.655 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 147.21 -70.52 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.504 ' C ' HD22 ' B' ' 361' ' ' LEU . 1.4 t -119.85 -64.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.739 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.72 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 171.72 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.58 ' N ' HG23 ' A' ' 6' ' ' ILE . 69.6 m -92.94 136.41 24.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.831 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -89.27 -35.84 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' OD1' ' A' ' 37' ' ' ASN . . . -53.19 -57.56 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.029 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -39.15 -49.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -45.57 77.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.3 m-20 -67.2 -28.61 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.019 ' HB3' HD22 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -62.28 -72.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -32.77 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -72.24 -24.37 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -78.46 -41.83 31.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.2 mm? -62.16 -18.33 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' SER . 32.1 mttt -65.61 -34.38 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.57 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.97 -177.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.98 -34.58 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.757 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 m 88.35 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 164.15 -61.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -104.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' GLN . 11.5 mt-30 -59.69 -48.84 80.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -33.32 -59.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.4 pt20 -42.67 -48.77 5.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.1 mt-30 -73.64 -26.04 60.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.766 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.6 mt-30 -71.4 -53.03 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.69 -50.45 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.55 -30.97 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.6 m-20 -60.67 -51.32 69.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.53 -41.02 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.5 OUTLIER -60.36 -29.7 69.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.7 ptpt -88.11 -33.2 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -88.82 -1.66 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.9 m-80 -155.41 108.64 2.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB3' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.87 -39.96 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD23 HD12 ' A' ' 6' ' ' ILE . 4.5 mm? -65.98 -50.31 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.633 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -50.95 -38.56 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.7 -45.27 73.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.94 -57.02 6.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 18' ' ' LEU . 5.3 t80 -54.57 -55.54 28.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.62 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.48 -39.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.916 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.5 mp0 -74.94 -15.97 60.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.1 ttm180 -91.75 -26.56 18.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 11.3 t -95.61 -15.66 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.4 -13.86 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 1.04 ' CE ' HD13 ' B' ' 338' ' ' LEU . 6.7 tmtt? -87.55 -27.74 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.78 -45.67 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -54.37 -16.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -106.45 24.2 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.573 ' C ' ' OD1' ' A' ' 55' ' ' ASN . 29.8 p30 -164.55 21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' A' ' 53' ' ' VAL . 12.8 pt20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.594 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.3 tt0 -39.16 -54.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.955 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.93 -34.6 77.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.955 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.36 -31.95 69.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 1.029 HD12 HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -64.24 -61.15 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.768 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -58.97 -31.96 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 11.3 mm-40 -68.92 -31.75 70.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -67.17 -46.93 72.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -76.3 -31.21 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.916 HG13 ' CD ' ' A' ' 47' ' ' GLN . 8.8 t -65.16 -55.86 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -42.82 99.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.4 OUTLIER -62.1 -31.59 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.657 HD21 HD12 ' A' ' 18' ' ' LEU . 4.7 mt -71.72 -42.23 67.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.07 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.58 53.25 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.492 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.68 113.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 7.3 m-20 -77.48 -26.31 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 7.5 tp10 -55.25 -18.57 6.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -37.85 72.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -54.75 -34.26 62.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 332' ' ' ALA . 1.9 tt -90.44 -54.49 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.529 ' HB1' ' OD2' ' B' ' 335' ' ' ASP . . . -79.77 53.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.22 -22.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.98 -52.45 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.529 ' OD2' ' HB1' ' B' ' 332' ' ' ALA . 45.0 m-20 -68.99 -16.87 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.26 -56.34 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 1.04 HD13 ' CE ' ' A' ' 51' ' ' LYS . 13.0 mt -109.07 -9.65 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.43 -59.23 3.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.8 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.4 pp -92.06 9.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.791 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.5 OUTLIER -53.84 -19.68 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -82.12 -18.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -85.27 -45.75 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 1.045 ' O ' HG11 ' B' ' 351' ' ' VAL . 3.5 p -71.68 -7.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -30.14 -47.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 1.045 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -133.22 3.61 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.452 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.5 OUTLIER 61.92 -71.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.7 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.1 mm? 44.46 65.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.4 m -37.25 97.69 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.857 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.96 5.51 3.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.57 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.3 tmt_? -134.64 -67.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.18 66.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 89.78 76.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.671 ' N ' HD22 ' B' ' 361' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 78.37 170.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 6' ' ' ILE . 11.1 m -92.65 135.71 26.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 1.122 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 4.01 5.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -102.67 -11.36 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -76.88 -57.15 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.13 -28.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.743 ' H ' HD22 ' A' ' 11' ' ' LEU . 11.4 mt-30 -71.41 -39.85 70.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . 57.9 m-20 -73.8 -27.95 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.97 -68.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -33.1 62.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.5 ttm180 -74.18 -24.93 59.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.817 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -72.57 -39.07 67.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.751 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.3 mm? -64.64 -27.89 69.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.8 mptm? -53.65 -36.46 62.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.49 -178.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -33.32 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 t 87.98 83.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.94 -61.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.99 -100.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' GLN . 5.0 mt-30 -61.58 -51.34 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.677 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.69 -60.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -42.01 -49.98 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.73 -26.21 61.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.817 ' CB ' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.96 -51.06 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -60.42 -52.6 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.55 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.91 -35.94 77.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.9 m-20 -58.83 -69.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.42 -56.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -91.1 -44.59 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -74.92 2.41 10.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.3 m-80 -163.56 114.26 1.01 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.48 -43.94 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.1 mm? -57.29 -51.74 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' ILE . 9.9 ttt -50.31 -42.97 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.7 -37.95 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -61.14 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.4 t80 -60.27 -56.58 19.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.659 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -41.78 -48.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -59.88 -43.17 94.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.55 -47.09 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' B' ' 343' ' ' LEU . 0.2 OUTLIER -62.67 -49.64 74.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -68.44 -19.74 64.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.16 -9.16 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.669 ' HG2' HD11 ' B' ' 340' ' ' ILE . 15.0 tppt? -93.16 -23.82 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.44 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -38.78 -31.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.89 -57.61 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.0 m-20 -62.9 -51.56 66.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.792 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 3.2 pt-20 -35.35 -61.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.633 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -59.5 -40.47 87.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.792 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -59.12 -40.45 85.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.627 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.04 -48.67 80.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.895 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -67.91 -36.99 81.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' B' ' 321' ' ' SER . 2.8 mm-40 -55.91 -36.34 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -71.63 -49.82 36.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -70.21 -58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.895 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -48.91 -38.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.9 t -63.06 -55.21 27.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -31.12 71.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.1 mt -68.67 -44.02 74.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -49.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.18 49.36 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.755 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.4 tppp? -41.21 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -27.86 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -24.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.463 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.9 OUTLIER -51.38 -27.22 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.77 -47.48 86.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' B' ' 331' ' ' LEU . 0.2 OUTLIER -77.34 -53.12 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.806 ' HB1' ' OD1' ' B' ' 335' ' ' ASP . . . -80.19 51.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -48.98 -22.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -52.12 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.806 ' OD1' ' HB1' ' B' ' 332' ' ' ALA . 35.6 m-20 -65.28 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.463 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -39.1 -30.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.26 -61.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.432 ' N ' HD22 ' B' ' 338' ' ' LEU . 3.2 mm? -100.42 -12.75 19.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.5 -52.77 3.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.771 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.8 pp -106.6 19.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.505 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -56.89 -17.44 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -81.03 -5.27 57.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.771 HD13 ' HB ' ' B' ' 340' ' ' ILE . 3.5 mp -99.8 -40.71 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.65 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -74.56 -3.65 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' B' ' 344' ' ' VAL . 3.5 pt20 -35.65 -34.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.58 ' HB ' HG22 ' B' ' 344' ' ' VAL . 1.2 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.794 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.55 -12.63 16.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.636 ' N ' HD22 ' B' ' 352' ' ' LEU . 13.7 t -44.3 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -48.76 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.677 ' O ' HG13 ' B' ' 356' ' ' VAL . 6.1 mp -82.17 -102.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.886 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.8 m -159.57 104.83 1.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.65 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 3.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.564 1.823 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.718 ' CB ' HD11 ' B' ' 361' ' ' LEU . 7.1 ttt180 -126.31 -46.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.886 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 164.92 -64.02 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.424 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.6 OUTLIER -130.63 -51.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.718 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.539 HG23 ' N ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -167.91 168.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -89.43 132.22 37.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.03 3.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 m -102.11 -19.37 15.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -75.27 -54.91 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HG ' HD12 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -46.12 -40.12 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.881 ' H ' HD13 ' A' ' 11' ' ' LEU . 5.3 mt-30 -62.92 -35.2 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.8 m-20 -72.41 -32.32 66.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD23 ' HG ' ' B' ' 319' ' ' LEU . 19.1 tp -64.12 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.8 33.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.3 ttm180 -74.95 -24.95 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -74.53 -51.22 15.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.848 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.75 -31.26 6.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.6 mptp? -53.07 -33.27 51.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.626 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.5 -174.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.626 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.95 -37.0 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.632 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 88.84 84.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.621 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.67 -62.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -97.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.1 tt0 -60.55 -50.71 72.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tm0? -31.18 -61.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -41.72 -49.75 4.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.0 mt-30 -72.87 -26.0 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.6 mm100 -69.94 -51.3 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.66 -52.24 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.07 -35.05 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.4 m-20 -58.07 -66.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.01 -58.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -41.41 -30.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 33' ' ' ILE . 12.0 mttm -84.28 -46.53 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.459 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -75.43 -0.17 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 12.6 m-80 -159.69 109.9 1.47 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -45.08 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.851 HD21 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -55.93 -49.88 72.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.497 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 14.5 ttt -56.76 -41.92 78.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.23 -46.53 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -61.88 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.839 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.2 t80 -53.79 -57.55 10.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -46.85 -39.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.5 mmpt? -66.48 -34.66 78.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 tm0? -68.57 -45.16 72.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.681 HH21 ' HB ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -64.29 -40.61 96.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.648 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.5 t -74.0 -22.48 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -12.36 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HG2' HD11 ' B' ' 340' ' ' ILE . 10.9 tppt? -87.17 -24.47 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.922 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.31 -52.9 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.54 -30.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.65 -53.29 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -66.09 -40.76 91.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.637 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.1 m-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.692 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.6 tt0 -39.94 -55.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.934 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -60.78 -33.97 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.934 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -71.19 -29.98 65.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.886 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.6 mm? -65.9 -61.02 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -63.36 -26.72 68.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.63 ' HA ' HG12 ' B' ' 320' ' ' VAL . 4.7 mm-40 -71.44 -32.06 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -70.94 -51.3 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.969 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -65.13 -51.46 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.969 ' N ' HD13 ' B' ' 319' ' ' LEU . 3.4 p -59.15 -37.07 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 2.1 m -57.92 -51.13 70.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -30.95 71.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.848 HD21 ' HG ' ' A' ' 18' ' ' LEU . 11.1 mt -61.78 -46.42 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -46.52 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.14 50.56 1.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.464 ' HZ2' HD21 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -41.66 118.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.32 -31.16 43.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -46.43 -35.98 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.663 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.3 m -50.4 -29.0 9.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.47 -56.04 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -30.17 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.747 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.67 49.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.763 ' HG3' HD22 ' B' ' 334' ' ' LEU . 9.7 pt-20 -55.07 -21.54 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -82.29 -39.38 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.5 m-20 -78.76 -17.05 56.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.663 ' HG2' HG23 ' B' ' 329' ' ' THR . 2.0 mtt180 -38.24 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.2 -62.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.679 HD12 ' HD2' ' A' ' 51' ' ' LYS . 1.5 mm? -99.32 -15.9 18.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.7 -48.47 3.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.861 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.2 pp -113.98 15.48 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.469 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -53.68 -21.91 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.782 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -73.38 -14.56 61.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.802 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mm? -89.16 -45.92 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.2 p -74.47 -3.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.8 tt0 -28.57 -44.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.409 1.068 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.865 HG11 HD23 ' B' ' 361' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.36 53.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.475 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.1 t 39.06 -151.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER 61.75 122.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.4 mt 39.9 45.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.686 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.0 m -12.23 109.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.732 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 -0.88 10.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.79 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -120.53 -78.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.539 ' C ' HG21 ' B' ' 356' ' ' VAL . . . -171.69 -37.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 361' ' ' LEU . 16.3 p -163.06 88.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.865 HD23 HG11 ' B' ' 351' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -178.36 142.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -71.9 141.12 84.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.96 7.78 2.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -102.04 -19.25 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -74.92 -54.19 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.915 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -47.52 -40.45 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.915 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.53 -34.81 79.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' ALA . 78.6 m-20 -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -62.52 -69.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.31 -32.57 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 24.5 ttt-85 -70.79 -26.49 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.721 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.8 m -75.01 -48.3 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.859 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.9 mm? -51.31 -21.93 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' SER . 35.3 mmtt -60.23 -36.84 78.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.564 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.86 -177.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -32.22 5.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.526 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 85.99 84.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.04 -100.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 14.7 mt-30 -61.4 -52.83 62.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.658 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.38 -60.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -41.27 -49.4 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -73.62 -28.04 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.721 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.8 mm100 -68.46 -52.53 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -57.43 -53.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.04 -37.09 83.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 9.6 m-20 -56.57 -67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.66 -55.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -43.42 -29.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.8 mtmt -86.72 -36.37 18.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.4 t -83.82 0.16 48.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.71 ' CB ' HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -160.62 109.01 1.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -46.81 -31.63 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -75.58 -48.05 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -50.33 -46.2 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.11 -40.66 70.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.63 -61.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 14' ' ' LEU . 3.5 t80 -54.94 -55.28 32.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.702 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.7 -42.26 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.22 -39.94 92.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.0 OUTLIER -67.44 -44.68 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -61.64 -47.82 83.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.5 t -72.74 -20.87 61.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.88 -8.96 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.684 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -91.88 -26.15 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.72 -51.0 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.09 -31.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.2 -50.0 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -70.41 -51.6 28.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.1 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 7.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' B' ' 315' ' ' LEU . 13.9 tt0 -47.12 -52.5 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.617 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -49.58 -32.83 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.617 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -69.15 -35.36 76.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.25 -60.03 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.764 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -62.32 -32.92 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 36.6 mm-40 -67.94 -30.5 69.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' B' ' 318' ' ' GLN . 2.0 tm0? -67.39 -48.7 66.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.88 ' C ' HD13 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.54 -33.73 62.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.824 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -65.29 -55.22 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 2.2 t -57.56 -46.18 84.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.546 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.71 -30.59 70.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.859 HD21 ' CD1' ' A' ' 18' ' ' LEU . 6.6 mt -67.61 -45.76 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -46.78 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.19 45.49 2.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.2 tppp? -40.97 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -71.11 -32.94 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 4.2 tp10 -50.7 -29.48 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.876 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.4 m -50.46 -26.72 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.16 -61.86 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -50.23 71.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -80.03 53.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.0 -22.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -51.04 11.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.669 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -64.94 -16.9 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.876 ' HA ' HG23 ' B' ' 329' ' ' THR . 61.2 ttt180 -44.97 -25.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -42.06 -62.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 51' ' ' LYS . 10.6 mp -92.67 -21.16 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.22 -7.71 50.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.815 ' HB ' HD12 ' B' ' 343' ' ' LEU . 1.8 pp -146.36 16.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.5 OUTLIER -53.49 -23.63 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.474 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -73.38 -22.07 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.815 HD12 ' HB ' ' B' ' 340' ' ' ILE . 94.2 mt -81.93 -45.5 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.678 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.1 p -75.96 -2.57 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.518 ' C ' ' O ' ' B' ' 344' ' ' VAL . 5.8 tt0 -29.45 -46.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.727 HG23 ' N ' ' B' ' 352' ' ' LEU . 4.6 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.727 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -123.97 43.91 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.46 ' C ' ' O ' ' B' ' 352' ' ' LEU . 7.6 t 34.5 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER 50.97 99.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.52 95.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.587 ' CG2' ' O ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -55.12 108.25 1.11 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.678 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.03 2.62 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.872 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -125.78 -63.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.527 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 165.97 -38.02 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.556 ' C ' HD22 ' B' ' 361' ' ' LEU . 44.9 t -154.9 81.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 179.1 140.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 9' ' ' SER . 60.2 m -52.12 128.51 39.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.681 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 13.08 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 7' ' ' SER . 48.8 m -102.32 -9.56 20.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -85.61 -63.96 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.877 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -40.94 -33.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.587 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.6 pt20 -70.83 -44.56 66.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ALA . 92.0 m-20 -69.94 -29.61 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 44' ' ' PHE . 6.2 tt -63.5 -69.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.941 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.92 -29.46 60.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.0 ttm-85 -74.46 -24.84 59.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -78.56 -45.75 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.096 HD22 HD21 ' B' ' 323' ' ' LEU . 2.6 mt -49.55 -25.68 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -58.85 -23.79 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.642 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -60.04 -173.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 88.0 84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.5 OUTLIER 161.67 -63.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.05 -95.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -60.11 -52.78 63.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.646 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -29.9 -62.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -41.92 -49.85 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.83 -26.71 61.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.547 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.6 mt-30 -71.04 -54.68 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.942 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -57.18 -51.95 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.537 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.45 -33.79 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 2.7 m-20 -60.03 -68.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.65 -52.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.942 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.08 -30.85 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -85.74 -36.86 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -78.75 -4.84 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD22 ' A' ' 40' ' ' LEU . 12.7 m-80 -162.15 111.39 1.14 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -45.76 -33.22 2.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -69.49 -46.21 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.35 -35.06 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.32 -43.81 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -61.05 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.78 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.3 t80 -53.42 -56.67 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.697 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.85 -37.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -66.41 -42.56 87.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.858 ' CD ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.51 -19.69 59.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.5 ttt180 -88.6 -29.47 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 13.5 t -95.29 -13.3 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.95 -11.44 8.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.7 OUTLIER -90.38 -24.54 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -106.53 -49.2 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -47.17 -32.45 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -61.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.1 m-20 -57.55 -49.99 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.6 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.5 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.9 tt0 -40.81 -56.1 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.933 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -59.07 -31.83 69.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.933 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -74.64 -32.63 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.57 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.22 -62.06 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.979 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -60.08 -49.88 75.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 5.0 mm-40 -43.23 -40.58 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.69 -42.54 77.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.02 -57.48 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.979 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.2 OUTLIER -55.19 -44.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -56.71 -40.53 75.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.724 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -75.1 -32.07 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 1.096 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -61.18 -46.61 89.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -54.37 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.78 47.92 3.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.57 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 1.5 tppp? -40.86 119.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -37.89 55.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.5 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 0.8 OUTLIER -45.83 -25.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.526 HG23 ' HA ' ' B' ' 336' ' ' ARG . 4.0 m -50.69 -26.27 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.41 -71.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.51 72.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.86 51.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.11 -22.63 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.826 ' C ' HD22 ' B' ' 334' ' ' LEU . 0.0 OUTLIER -76.89 -28.78 55.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.826 ' N ' HD22 ' B' ' 334' ' ' LEU . 4.0 m-20 -81.15 -18.17 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -43.21 -32.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.546 ' CB ' HD22 ' B' ' 355' ' ' LEU . . . -41.73 -60.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' B' ' 355' ' ' LEU . 0.3 OUTLIER -103.06 -12.19 17.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.6 -55.27 2.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.749 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.7 pp -101.6 12.42 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.9 OUTLIER -55.3 -18.59 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.5 ' HZ3' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -78.09 -8.77 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.653 HD12 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mt -94.92 -45.42 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -69.17 -7.55 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -32.17 -38.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.818 HG11 HD23 ' B' ' 361' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.803 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.31 65.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.448 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.7 m 35.88 -141.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.5 OUTLIER 69.36 -169.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -38.93 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 354' ' ' LYS . 3.7 m -38.63 99.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.801 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.97 2.98 6.01 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.577 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.45 -49.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 162.64 -43.72 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 361' ' ' LEU . 38.5 p -156.8 90.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.818 HD23 HG11 ' B' ' 351' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -169.07 155.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.468 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.0 m -57.69 132.38 82.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.879 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -17.63 19.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -88.3 -32.22 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -58.29 -55.98 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.993 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -40.13 -46.41 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 21.9 mt-30 -58.9 -42.9 90.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 10' ' ' ALA . 68.5 m-20 -62.58 -29.75 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 44' ' ' PHE . 27.7 tp -65.83 -61.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.034 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -58.34 -33.74 69.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 14.2 ttt180 -76.92 -21.73 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.5 m -76.37 -45.6 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HE1' ' A' ' 44' ' ' PHE . 3.9 mm? -62.29 -16.28 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' SER . 6.2 mmtp -70.36 -33.1 71.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.41 -178.75 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -31.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.86 84.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.605 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.84 -60.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -101.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.7 mt-30 -61.86 -52.31 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.78 -61.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -42.05 -49.82 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.5 mt-30 -72.87 -28.07 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.756 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.2 mt-30 -67.1 -52.13 45.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.76 -51.84 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.05 -33.09 74.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 15.8 m-20 -64.69 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -53.54 -46.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -56.96 -28.21 62.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -89.68 -50.12 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -4.14 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.084 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -157.71 105.99 1.79 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB2' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.29 -26.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.084 HD12 ' CB ' ' A' ' 37' ' ' ASN . 34.4 mt -76.7 -55.1 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 45' ' ' ILE . 12.6 ttt -47.52 -43.23 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.06 -45.6 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -54.48 13.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 34' ' ' LEU . 26.6 t80 -58.58 -56.85 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.762 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.58 -39.91 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mmpt? -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.772 ' OE1' HG13 ' B' ' 320' ' ' VAL . 36.5 tp60 -77.45 -19.29 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -83.45 -31.08 26.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 53' ' ' VAL . 2.7 t -101.18 -11.1 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -54.61 -15.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.64 -27.98 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.735 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.88 -53.93 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.655 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.39 -26.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -69.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -61.47 -39.04 89.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.737 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 6.6 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' HD23 ' B' ' 316' ' ' LEU . 3.0 tt0 -38.85 -60.79 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.784 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.41 -33.03 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.784 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -69.34 -33.57 73.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -64.14 -61.36 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.964 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.57 -32.36 68.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 -34.53 78.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.949 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -79.04 -35.12 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.964 HG23 ' O ' ' B' ' 316' ' ' LEU . 94.1 t -69.02 -44.87 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.8 t -67.42 -43.91 80.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 15' ' ' LEU . 2.2 t80 -59.52 -40.36 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' B' ' 323' ' ' LEU . 8.5 mt -66.01 -47.98 72.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.68 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 325' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -106.01 49.19 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.517 ' HB2' ' CG2' ' B' ' 340' ' ' ILE . 1.8 tppp? -40.11 131.53 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -86.86 -30.61 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -48.64 -22.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.72 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.06 -31.5 13.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.41 -41.08 93.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.83 -49.48 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.716 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.844 ' HG3' HD22 ' B' ' 334' ' ' LEU . 10.2 pt-20 -51.4 -22.72 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.844 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.0 mm? -79.23 -53.5 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 13.5 m-20 -69.34 -14.11 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.72 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.6 -29.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -34.43 -62.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 51' ' ' LYS . 10.4 mp -93.66 -24.16 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.75 -19.16 12.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.762 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.5 pp -140.83 16.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.63 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -64.33 -9.85 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.716 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -90.96 -10.94 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.88 ' O ' HD12 ' B' ' 343' ' ' LEU . 0.2 OUTLIER -97.88 -16.63 19.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 351' ' ' VAL . 0.6 OUTLIER -97.95 -7.35 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.511 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.54 -36.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.867 HG23 ' H ' ' B' ' 353' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.692 HD22 ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -59.4 -12.31 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.867 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.12 -60.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -39.16 137.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.43 -165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.64 HG12 HD23 ' B' ' 361' ' ' LEU . 1.1 m -135.23 96.77 13.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.505 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.04 1.27 7.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.808 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -128.61 -75.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 172.88 78.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 92.81 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.808 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.608 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -156.0 156.96 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.608 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.39 129.91 80.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.907 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -12.15 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -81.12 -32.4 33.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -57.27 -62.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.907 HD21 ' HA ' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -40.21 -52.58 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.62 -42.41 74.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ALA . 90.2 m-20 -67.02 -29.4 69.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 40' ' ' LEU . 12.8 tp -63.93 -70.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -31.34 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 20.3 ttm180 -75.35 -23.57 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.726 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -76.15 -49.5 17.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.083 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.717 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mm? -51.23 -22.15 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.6 mptp? -60.62 -35.21 75.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.572 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.37 -178.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -25.13 12.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 5.2 m 77.98 84.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.058 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.615 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 163.86 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -102.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.6 tt0 -59.99 -48.88 79.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.6 tm0? -33.2 -58.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -43.07 -49.74 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.1 mt-30 -72.53 -25.32 61.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.726 ' CB ' HG23 ' A' ' 17' ' ' THR . 11.3 mt-30 -69.28 -50.54 45.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -61.76 -51.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.88 -33.69 74.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -60.21 -69.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.92 -51.23 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -50.06 -29.34 8.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.0 mtmm -90.04 -43.76 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -73.04 -3.49 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.613 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.8 m-80 -160.72 107.04 1.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.3 tp60 -51.14 -17.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.962 HD11 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -79.7 -51.42 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -52.98 -26.42 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -49.38 -43.57 44.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.4 -61.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.95 ' HB2' HD21 ' A' ' 14' ' ' LEU . 8.0 t80 -57.15 -57.7 11.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.23 -50.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.39 -40.69 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' HG3' HD12 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.579 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -73.58 -43.99 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.4 t -76.12 -18.66 59.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.07 -10.71 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -94.74 -26.95 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 1.08 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -102.52 -49.96 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.21 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.33 -58.98 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.52 -49.98 60.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.628 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 15.9 tt0 -34.71 -59.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.816 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -57.37 -42.89 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.816 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -60.64 -39.81 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.74 HD23 HD22 ' A' ' 11' ' ' LEU . 11.1 mp -55.49 -44.03 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.871 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.14 -33.87 61.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 3.5 mt-10 -64.25 -28.73 69.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.77 -51.2 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.2 -47.96 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 316' ' ' LEU . 89.8 t -54.94 -53.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.8 m -51.91 -51.31 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.84 -30.63 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.7 mt -67.46 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -52.99 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.63 50.78 4.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.505 ' HA ' ' NZ ' ' B' ' 326' ' ' LYS . 0.7 OUTLIER -43.26 124.91 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.747 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.47 -38.0 74.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.73 -31.95 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.4 -30.24 11.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.33 -50.26 74.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 17.9 tp -77.96 -49.13 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.756 ' HB1' ' HZ1' ' B' ' 342' ' ' LYS . . . -81.01 49.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.653 ' HG3' HD12 ' B' ' 334' ' ' LEU . 18.2 pt-20 -53.27 -22.74 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' B' ' 333' ' ' GLU . 8.6 mp -76.48 -52.02 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.833 ' HB2' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -71.29 -14.4 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' B' ' 337' ' ' ALA . 7.0 ttm180 -38.23 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -36.09 -61.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' B' ' 341' ' ' ASP . 2.2 mm? -79.87 -30.74 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.58 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 69.24 8.36 58.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.743 ' O ' HG12 ' B' ' 344' ' ' VAL . 2.7 pp -155.93 21.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -68.15 -2.01 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.833 ' HZ1' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -89.31 -41.1 12.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.604 HD21 ' HB ' ' B' ' 340' ' ' ILE . 2.2 pp -72.53 -11.12 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.743 HG12 ' O ' ' B' ' 340' ' ' ILE . 1.6 p -116.36 -4.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' B' ' 358' ' ' ARG . 0.8 OUTLIER -31.71 -48.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.729 HG23 ' N ' ' B' ' 352' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 1.08 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.64 45.71 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.546 ' N ' HG23 ' B' ' 351' ' ' VAL . 2.0 t 29.16 51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.864 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.3 OUTLIER -94.76 103.49 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.457 ' C ' HG22 ' B' ' 356' ' ' VAL . 1.4 mm? 43.37 31.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 355' ' ' LEU . 6.5 m 43.09 94.84 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.43 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.97 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.771 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.1 ttp85 -120.19 -67.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 149.41 67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 89.68 76.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.771 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.546 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -167.05 161.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.447 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -72.3 131.43 84.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.668 ' O ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 6.96 3.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -101.35 -9.39 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.08 -61.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.821 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -46.29 -30.44 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.4 mt-30 -70.98 -38.66 72.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ALA . 3.0 m-20 -76.87 -29.5 55.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.978 HD12 HD11 ' A' ' 40' ' ' LEU . 5.2 tt -62.7 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -62.35 -35.94 80.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.2 ttt-85 -71.99 -18.79 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -77.62 -49.69 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.1 mm? -48.66 -26.51 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -56.09 -37.5 69.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.574 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.2 -178.21 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.91 -32.3 5.64 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.54 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.6 m 85.86 82.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.602 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 164.31 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -74.99 -102.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 tt0 -60.78 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.4 tm0? -32.43 -59.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.566 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.73 -50.16 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.566 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.16 -26.25 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.7 mt-30 -67.66 -51.33 51.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.906 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.2 m -60.08 -50.8 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -63.03 -37.34 86.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -54.53 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.24 -47.53 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.906 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.39 -33.93 45.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -92.53 -26.23 18.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.3 t -86.83 -2.39 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 33' ' ' ILE . 14.2 m-80 -162.62 111.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.02 -66.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.7 tt0 -45.62 -32.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.978 HD11 HD12 ' A' ' 14' ' ' LEU . 3.1 tm? -74.33 -41.9 60.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 45' ' ' ILE . 8.2 ttt -58.21 -36.08 72.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.58 -38.34 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.846 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.6 t80 -60.7 -55.93 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -40.71 -49.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.68 -42.99 97.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' NE2' HG13 ' B' ' 320' ' ' VAL . 20.2 mm-40 -54.31 -45.33 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.881 ' NH1' HD22 ' B' ' 343' ' ' LEU . 1.9 mmp_? -72.53 -45.5 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.594 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -59.7 -28.5 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 53' ' ' VAL . . . -60.13 -12.34 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 1.035 ' HZ3' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -88.65 -33.14 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.923 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -96.71 -25.21 15.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.4 -28.95 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.63 62.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -110.4 -44.75 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.779 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.4 tt0 -37.34 -60.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.905 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.74 -34.07 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.905 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.93 -30.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.687 HD23 ' HG ' ' A' ' 11' ' ' LEU . 11.0 mp -66.19 -62.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.958 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.83 -31.86 68.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 28.4 mm-40 -64.8 -37.7 88.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.19 -45.06 86.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -71.09 -39.8 71.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.958 HG23 ' O ' ' B' ' 316' ' ' LEU . 53.8 t -59.16 -52.17 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -42.96 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.516 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.719 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.3 mt -72.63 -35.8 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -46.15 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.24 50.16 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.583 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.2 OUTLIER -42.6 113.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -38.32 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' B' ' 328' ' ' GLU . 0.1 OUTLIER -46.29 -36.14 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.78 -31.3 16.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -55.01 -66.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -52.55 64.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.591 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . . . -80.37 52.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.46 -22.56 3.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -52.32 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.557 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.7 m-20 -62.42 -14.77 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' B' ' 329' ' ' THR . 0.1 OUTLIER -42.4 -26.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.73 ' C ' HD23 ' B' ' 338' ' ' LEU . . . -44.45 -43.97 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 1.035 HD13 ' HZ3' ' A' ' 51' ' ' LYS . 1.6 mt -110.17 -19.68 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.24 -53.96 1.86 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.742 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -105.75 20.06 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.703 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -58.56 -11.61 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.591 ' HZ2' ' HB3' ' B' ' 332' ' ' ALA . 3.3 mppt? -87.86 -25.84 23.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.881 HD22 ' NH1' ' A' ' 48' ' ' ARG . 1.1 mp -83.56 -41.49 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.812 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.1 p -75.06 -10.61 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.515 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -29.02 -46.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.663 HG11 ' O ' ' B' ' 344' ' ' VAL . 28.3 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.923 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -72.7 89.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.713 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.9 p -43.42 -33.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -49.12 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.2 OUTLIER -69.48 60.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.713 HG13 ' O ' ' B' ' 353' ' ' SER . 7.6 m -38.38 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.812 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 2.45 6.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.705 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.97 -46.35 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.636 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 165.14 -62.37 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.441 ' N ' HD22 ' B' ' 361' ' ' LEU . 1.7 t -134.37 -50.51 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.559 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 177.13 170.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.5 m -89.77 132.93 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 1.084 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.02 2.65 6.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.1 p -103.13 -11.2 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -77.18 -56.53 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.084 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.23 -26.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.712 ' H ' HD22 ' A' ' 11' ' ' LEU . 20.9 mt-30 -73.71 -40.14 63.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.6 m-20 -76.55 -29.67 56.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.93 -64.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.04 -33.48 67.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 9.6 ttm-85 -73.82 -28.3 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.841 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.9 m -66.92 -41.3 87.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.4 mm? -61.63 -22.02 64.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 5.3 mmtt -60.76 -37.96 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.55 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.55 -178.82 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.548 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 m 86.38 83.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.591 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.64 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -102.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.65 -49.07 79.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.0 tm0? -33.26 -59.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.555 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 5.0 pt20 -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 tt0 -72.47 -26.7 61.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.841 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.5 mt-30 -71.06 -53.92 12.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -55.91 -50.29 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.78 -31.57 72.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' SER . 5.1 m-20 -61.43 -58.18 9.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -68.69 -43.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -56.82 -32.33 65.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.6 ptpt -92.07 -31.0 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASN . 51.9 m -86.15 -1.18 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.696 ' HB3' HD23 ' A' ' 40' ' ' LEU . 20.3 m-80 -163.24 113.42 1.03 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.7 tp60 -47.59 -32.94 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.696 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.2 mm? -68.8 -54.74 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.0 tmm? -52.62 -39.98 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -48.91 -45.79 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' B' ' 316' ' ' LEU . . . -68.14 -61.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 18' ' ' LEU . 4.5 t80 -53.14 -56.57 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -47.54 -43.42 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -59.63 -40.68 88.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tm0? -67.41 -45.05 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.0 mtm180 -60.39 -52.5 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.4 t -68.02 -24.18 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.385 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.11 -9.45 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.7 tptt -92.25 -27.47 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.856 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -104.37 -50.8 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.51 -35.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.8 -59.05 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -62.07 -47.65 83.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 17.1 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.851 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.1 tt0 -41.94 -53.23 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.78 -33.23 9.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -71.89 -35.35 69.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -59.21 -61.52 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.949 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.41 -37.67 75.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.592 ' HA ' HG22 ' B' ' 320' ' ' VAL . 14.4 mm-40 -57.12 -33.4 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.543 ' HG2' ' N ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -71.69 -46.15 59.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.759 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -71.76 -56.34 5.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.949 HG13 ' O ' ' B' ' 316' ' ' LEU . 3.7 m -50.44 -39.84 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.5 m -60.29 -54.5 44.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.67 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.557 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 3.0 mt -70.14 -37.75 75.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.66 -51.93 58.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.59 53.4 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.557 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -41.21 118.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -39.68 68.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.432 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . 2.5 tp10 -47.78 -24.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.605 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.9 m -51.45 -37.59 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -49.63 76.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.52 -50.87 41.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.83 52.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 14.7 pt-20 -51.68 -22.36 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.84 -35.74 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.628 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.8 m-20 -78.56 -14.61 59.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.605 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.37 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.0 -63.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.916 HD22 ' OD1' ' B' ' 341' ' ' ASP . 8.3 mp -93.55 -23.17 18.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.583 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 75.86 -6.69 32.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.6 pp -155.58 22.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.916 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -49.7 -30.55 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.3 OUTLIER -61.58 -29.26 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.462 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 2.9 mp -79.4 -25.56 42.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.856 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -88.51 -6.36 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.469 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 0.4 OUTLIER -36.57 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.873 HG23 ' H ' ' B' ' 353' ' ' SER . 18.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -100.85 -8.37 22.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.873 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.04 -56.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' B' ' 353' ' ' SER . 1.5 ttmt -40.65 109.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 66.21 79.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 361' ' ' LEU . 5.7 m -39.86 101.18 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.43 6.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.727 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -116.71 -34.34 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 133.64 -53.14 0.8 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.555 ' C ' HD22 ' B' ' 361' ' ' LEU . 22.7 t -150.56 93.49 1.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 0.793 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.797 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.553 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -152.72 158.61 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.553 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.51 148.14 98.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.667 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -65.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -34.86 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -60.97 -58.47 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.076 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.64 -32.73 52.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' N ' HD22 ' A' ' 11' ' ' LEU . 4.9 mt-30 -74.47 -31.06 62.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -74.25 -32.36 62.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 319' ' ' LEU . 1.1 tp -68.21 -60.39 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -52.64 -38.34 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.6 ttm180 -76.45 -23.2 53.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.87 HD22 HD21 ' B' ' 323' ' ' LEU . 3.3 mt -63.73 -25.3 68.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.9 mptp? -59.0 -24.89 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.649 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -58.51 -173.75 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.04 -36.54 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.582 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 89.42 74.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 171.7 -62.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.983 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -95.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -57.36 -52.39 65.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 17' ' ' THR . 36.1 tp60 -28.48 -62.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.544 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -42.46 -49.74 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -72.66 -27.18 61.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.64 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -72.3 -54.5 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.858 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -55.7 -49.83 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.93 -32.1 73.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' SER . 1.9 m-20 -59.42 -59.08 6.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -68.71 -44.38 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.58 -31.93 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -93.38 -28.23 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASN . 50.9 m -89.25 1.2 56.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.1 m-80 -163.16 111.89 1.03 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.04 -68.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.507 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 43.0 tp60 -45.88 -27.46 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD11 ' CD2' ' A' ' 14' ' ' LEU . 3.3 tm? -74.91 -53.68 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -54.21 -26.98 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -60.81 -40.5 92.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.45 -56.25 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.722 ' CZ ' HD23 ' B' ' 343' ' ' LEU . 2.7 t80 -58.94 -57.54 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.545 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.13 -35.35 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.681 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.5 mmmt -75.65 -32.66 60.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.5 tp60 -72.62 -46.96 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.61 -37.33 79.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -77.43 -20.21 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.22 -10.58 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.62 -29.31 20.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 1.014 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -102.84 -53.66 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.16 -27.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.14 -69.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -60.65 -38.94 86.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.512 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.692 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.0 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.603 ' O ' HD23 ' B' ' 316' ' ' LEU . 74.5 tt0 -37.83 -54.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.906 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -63.96 -36.5 84.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.906 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.47 -29.01 68.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 11' ' ' LEU . 10.9 mp -66.93 -61.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.773 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -62.19 -31.63 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -68.48 -35.13 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -64.13 -50.96 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.769 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.74 -34.48 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 316' ' ' LEU . 4.9 t -61.45 -55.0 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -43.29 79.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -64.33 -32.68 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.87 HD21 HD22 ' A' ' 18' ' ' LEU . 5.5 mt -68.11 -45.23 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -41.56 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.48 45.36 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.9 OUTLIER -41.68 124.2 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 13.5 m-20 -76.8 -33.67 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -32.42 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.5 OUTLIER -67.5 -33.97 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -53.87 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.29 53.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.735 ' HG3' HD22 ' B' ' 334' ' ' LEU . 16.2 pt-20 -47.54 -23.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -74.82 -49.34 21.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.61 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -66.2 -14.38 61.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' B' ' 335' ' ' ASP . 5.8 tmm_? -35.9 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -50.16 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' B' ' 341' ' ' ASP . 0.9 OUTLIER -86.65 -29.71 22.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.593 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.46 -0.13 43.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.593 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.5 pp -156.08 22.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.667 ' HB2' HD23 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -52.1 -20.4 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 2.4 mptt -73.68 -25.79 60.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.722 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 2.0 mp -88.12 -14.82 37.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 1.014 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -95.32 -4.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' B' ' 345' ' ' GLN . 4.2 pm0 -39.2 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.405 HG11 ' HG2' ' B' ' 357' ' ' PRO . 6.3 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.75 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -120.15 -5.47 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.455 ' N ' HD22 ' B' ' 352' ' ' LEU . 14.8 t -50.31 -179.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.055 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -31.87 10.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.59 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.7 mt -110.02 -99.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.59 HG13 ' O ' ' B' ' 355' ' ' LEU . 2.2 m -156.71 108.26 1.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.483 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -74.98 2.9 6.11 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.794 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.8 OUTLIER -121.19 -51.32 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 154.9 -47.28 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.505 ' C ' HD22 ' B' ' 361' ' ' LEU . 85.2 p -155.09 86.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.798 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -174.15 159.25 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 9' ' ' SER . 6.1 m -75.49 129.19 82.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.881 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 10.78 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 7' ' ' SER . 15.4 m -102.26 -10.75 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -80.96 -60.22 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.63 -32.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.746 ' H ' HD22 ' A' ' 11' ' ' LEU . 14.3 mt-30 -73.88 -41.09 62.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 40.7 m-20 -69.63 -28.06 65.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -65.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.04 -39.86 43.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.5 ttm105 -70.01 -28.98 65.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.55 -40.8 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.949 HD22 HD21 ' B' ' 323' ' ' LEU . 3.5 mt -63.87 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 11.1 mmtt -52.96 -22.97 6.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.691 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 p -60.3 -171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.691 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -74.98 -35.16 3.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.639 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 85.2 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.631 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -62.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -96.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.7 mt-30 -60.98 -52.13 66.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.688 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -29.21 -62.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -40.64 -50.65 3.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -73.16 -28.65 62.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -67.71 -54.01 22.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -57.58 -53.91 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.54 -35.57 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.8 m-20 -60.2 -69.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -53.57 -60.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.05 -29.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.7 mttm -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.9 m -72.28 -8.09 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.693 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 11.2 m-80 -158.98 96.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.03 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.7 tt0 -45.26 -23.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 14' ' ' LEU . 3.4 tm? -83.96 -45.5 13.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -49.91 -24.33 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.45 -38.7 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.89 -61.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 1.4 t80 -57.53 -56.72 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.21 -46.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.6 mmmt -63.7 -38.74 92.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -62.42 -49.98 73.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.527 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.12 -35.47 80.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.633 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -76.48 -18.25 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.387 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.63 -9.13 12.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.684 ' HG2' HD11 ' B' ' 340' ' ' ILE . 13.6 tptt -92.43 -23.04 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.887 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -109.06 -51.18 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.493 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.03 -32.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -62.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 7.6 m-20 -54.48 -46.81 73.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.766 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.2 tt0 -36.89 -57.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.99 -36.85 82.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.766 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -65.68 -35.5 80.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.592 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.1 -62.03 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.978 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.38 -42.9 88.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 25.4 mm-40 -46.38 -41.7 13.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.59 -35.93 68.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.58 -47.01 57.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.978 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -65.52 -37.79 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -66.54 -46.25 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -31.14 72.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.949 HD21 HD22 ' A' ' 18' ' ' LEU . 10.6 mt -68.42 -45.63 72.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -46.98 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.23 52.33 1.08 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.478 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.8 tppp? -41.57 107.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -28.3 66.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.26 -25.38 47.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.62 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.7 m -56.69 -38.75 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.84 -47.42 84.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.69 -48.28 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.83 54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.868 ' HG3' HD12 ' B' ' 334' ' ' LEU . 12.1 pt-20 -46.45 -23.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.868 HD12 ' HG3' ' B' ' 333' ' ' GLU . 11.1 mp -77.47 -45.43 25.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.612 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.4 OUTLIER -70.73 -16.63 62.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.62 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.4 tmm_? -42.24 -27.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -47.12 -61.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' B' ' 341' ' ' ASP . 5.4 mp -95.14 -23.3 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.44 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 82.15 -17.44 17.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.684 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -152.55 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.709 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -47.9 -35.54 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -60.69 -29.5 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -80.35 -35.4 35.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.887 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -75.96 -3.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 9.7 pt20 -42.56 -30.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.492 HG12 ' O ' ' B' ' 344' ' ' VAL . 5.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.729 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -110.35 -8.61 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.453 ' N ' HD22 ' B' ' 352' ' ' LEU . 15.5 t -45.55 171.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -99.66 -31.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.99 -108.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.511 HG12 HD23 ' B' ' 361' ' ' LEU . 12.0 m -147.07 103.67 3.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.491 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -74.98 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.845 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.78 -70.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.638 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 153.83 71.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.0 t 86.2 80.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.66 HG21 ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 176.77 151.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.512 ' H ' HD13 ' A' ' 6' ' ' ILE . 28.2 m -61.13 151.58 74.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.584 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -22.38 -51.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -43.81 -64.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.075 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.38 -34.75 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -70.57 -28.8 65.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' ALA . 70.8 m-20 -75.19 -32.52 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.5 tm? -67.14 -60.53 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.96 -34.45 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 29.8 ttt180 -75.3 -25.11 57.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.793 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -71.56 -36.56 70.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' B' ' 323' ' ' LEU . 1.7 mm? -66.6 -31.14 71.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 28.7 mmtt -52.34 -33.31 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -51.35 -175.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.3 p 90.48 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.636 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 159.75 -62.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.68 -51.46 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.669 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.8 tm0? -30.77 -61.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.3 pt20 -43.13 -49.93 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.4 mt-30 -72.31 -25.37 61.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.793 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.61 -51.17 37.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.85 -52.06 66.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.41 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -58.97 -60.35 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.42 -59.8 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -38.32 -34.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.3 mttm -61.77 -53.71 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ILE . 58.4 m -101.76 21.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 m-80 -121.92 89.47 48.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.434 1.755 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.8 tp60 -81.04 -15.29 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.66 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -78.9 -54.69 5.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 24.4 ptt? -57.04 -28.09 62.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.39 -44.82 45.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.623 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.5 -60.85 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.755 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 t80 -54.51 -56.71 16.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -46.96 -36.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.3 mmpt? -73.23 -32.73 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 mm-40 -71.76 -48.0 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.8 ptt180 -67.28 -43.37 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HA ' ' A' ' 46' ' ' LYS . 4.8 t -71.77 -26.33 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.54 -11.53 11.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.699 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -88.09 -27.44 21.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CD1' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.42 -52.54 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.09 -36.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -65.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -57.52 -47.87 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 pp0? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.611 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 4.4 tt0 -32.82 -59.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -56.7 -46.13 81.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.611 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -54.84 -41.16 70.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -57.81 -43.32 85.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 320' ' ' VAL . 2.4 mt -71.7 -32.36 67.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' B' ' 321' ' ' SER . 4.1 mt-10 -63.59 -32.88 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -50.06 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.806 HD12 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -69.38 -56.78 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 316' ' ' LEU . 71.4 t -48.94 -54.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -50.42 -54.18 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.94 -30.79 70.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.1 mt -65.43 -48.01 74.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.74 -54.36 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -83.3 48.55 4.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.624 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.6 tppp? -44.42 130.71 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.99 -35.96 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.518 ' C ' ' HZ1' ' B' ' 342' ' ' LYS . 0.5 OUTLIER -61.21 -15.0 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.558 HG23 ' HA ' ' B' ' 336' ' ' ARG . 21.8 m -67.71 -32.46 73.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.05 -56.71 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.67 -50.8 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.92 52.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.83 -22.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' B' ' 332' ' ' ALA . 31.3 mt -77.57 -51.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.547 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 71.9 m-20 -63.82 -16.59 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.558 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.4 OUTLIER -44.02 -30.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -45.52 -48.0 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 1.026 HD12 ' OD2' ' B' ' 341' ' ' ASP . 13.4 mt -106.75 -13.8 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.7 -55.8 1.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -101.29 18.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 1.026 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.84 -19.2 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.614 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -83.27 -12.45 56.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.804 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.3 mm? -94.61 -15.11 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.535 ' HB ' ' CB ' ' B' ' 357' ' ' PRO . 2.2 t -100.14 -12.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.439 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 15.3 tt0 -36.94 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 351' ' ' VAL . 13.7 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.668 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER 28.83 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.5 m 152.0 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -56.96 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' B' ' 338' ' ' LEU . 24.6 mt -68.92 63.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.782 HG21 ' O ' ' B' ' 359' ' ' GLY . 3.8 m -39.61 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.535 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.98 -3.94 14.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.13 -33.93 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.782 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 148.84 -68.72 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.434 ' C ' HD22 ' B' ' 361' ' ' LEU . 94.8 p -122.43 -61.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -156.85 152.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.692 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.5 m -60.83 153.9 61.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' GLN . 4.2 m -33.28 -38.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -44.1 -32.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.65 -43.58 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.598 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.25 -40.42 71.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' A' ' 40' ' ' LEU . 4.4 tt -67.08 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.53 -33.0 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttt180 -76.01 -32.94 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.7 m -56.75 -39.84 74.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -63.0 -29.73 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 13.3 mmtp -53.01 -34.0 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.636 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -52.26 -174.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.02 -36.76 2.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.621 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.94 82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.647 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.37 -63.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.94 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.1 mt-30 -59.84 -52.17 66.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.675 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -29.95 -61.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -42.22 -49.78 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.876 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.4 mt-30 -69.83 -53.04 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.29 -51.63 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -61.59 -33.63 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -57.83 -64.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.694 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -63.23 -59.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.506 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -40.5 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 33' ' ' ILE . 9.2 mttm -74.8 -54.44 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 68.8 m -95.11 18.88 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.969 ' HB3' HD12 ' A' ' 40' ' ' LEU . 20.8 m120 -151.16 92.77 3.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.74 -42.58 62.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.969 HD12 ' HB3' ' A' ' 37' ' ' ASN . 19.4 mt -63.19 -55.47 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ILE . 11.1 ttt -50.43 -41.75 53.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.52 -46.9 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.53 -55.62 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -56.0 -59.58 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.569 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -44.58 -50.81 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -63.26 -36.17 82.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.506 ' HB3' HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 1.125 HH21 HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.17 -51.42 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.675 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.2 t -66.07 -15.63 63.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -64.0 -7.63 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.3 tppm? -94.0 -24.98 17.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.904 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.82 -50.21 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.57 -38.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.78 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 m-20 -68.38 -52.96 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.874 ' HA ' HD22 ' B' ' 315' ' ' LEU . 23.3 tt0 -46.72 -37.27 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.41 -30.92 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.521 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -76.62 -32.57 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.7 OUTLIER -57.84 -60.26 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.87 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.51 -50.47 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 15.3 mm-40 -43.06 -37.83 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.458 ' C ' ' CD ' ' B' ' 318' ' ' GLN . 5.6 tm0? -72.01 -45.72 59.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.44 -51.82 46.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.87 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.4 m -56.96 -40.82 74.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.7 m -59.12 -49.45 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.679 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -68.42 -32.31 72.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.727 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.9 mt -66.61 -47.37 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -54.29 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.46 56.09 2.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.84 124.36 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.29 -38.27 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -51.97 -20.89 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.746 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.6 m -53.36 -31.55 45.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.73 -60.35 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -51.46 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.66 53.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -45.83 -23.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -80.74 -52.25 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.568 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 2.2 m-20 -63.74 -15.43 58.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.1 ttt180 -43.99 -26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.36 -62.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.718 HD22 ' HD2' ' A' ' 51' ' ' LYS . 90.3 mt -95.22 -19.76 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.53 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 78.09 -6.44 49.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 1.125 HD13 HH21 ' A' ' 48' ' ' ARG . 2.3 pp -154.36 22.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.471 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 4.0 t70 -62.2 -12.74 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.94 -7.42 59.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.78 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.3 mm? -98.73 -41.43 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.676 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.8 p -74.87 -3.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.513 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 4.5 pt20 -44.83 -46.4 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' B' ' 345' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 22.4 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.904 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.21 6.82 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 7.1 m 44.55 60.55 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.863 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -99.84 112.4 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.404 ' C ' HG22 ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.69 32.57 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.404 HG22 ' C ' ' B' ' 355' ' ' LEU . 11.7 m 40.31 80.74 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.665 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.06 6.74 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.72 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -130.3 -42.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.24 -45.92 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.603 ' C ' HD22 ' B' ' 361' ' ' LEU . 31.7 t -152.93 86.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.812 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.751 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 179.31 150.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -55.34 129.74 68.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.767 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -10.11 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.76 -32.83 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -57.35 -59.26 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.033 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -41.01 -47.34 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.41 -42.42 91.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -63.99 -36.83 85.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' B' ' 319' ' ' LEU . 0.5 OUTLIER -59.91 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.8 -31.34 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 13.6 ttm180 -75.63 -20.98 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.626 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.4 m -79.27 -44.66 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -52.38 -20.52 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 4.0 mttt -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.82 -176.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.07 -33.46 4.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.55 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.82 86.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.624 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.08 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -95.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.0 mt-30 -62.74 -57.53 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.641 ' O ' HG13 ' A' ' 30' ' ' VAL . 13.8 tt0 -28.44 -62.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -39.85 -51.24 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.26 -28.19 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mt-30 -67.91 -53.7 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.4 m -56.87 -53.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.47 -32.07 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.9 m-20 -62.55 -64.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -59.96 -46.1 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -55.33 -28.87 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -84.89 -50.51 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -5.48 34.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.738 ' HB3' HD23 ' A' ' 40' ' ' LEU . 23.3 m-80 -152.18 105.44 2.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.542 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.98 -26.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 6' ' ' ILE . 1.2 mm? -78.34 -47.73 17.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.9 ttt -49.88 -47.6 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.14 -44.86 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -66.48 -62.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 10.6 t80 -54.35 -58.27 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.14 -41.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 7.1 mmmt -62.85 -38.49 91.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -68.34 -44.17 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.997 ' HD3' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -66.24 -37.47 85.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -74.74 -22.07 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.74 -11.85 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.77 ' HG2' HD11 ' B' ' 340' ' ' ILE . 57.5 tptt -89.22 -23.73 22.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -108.41 -53.33 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.95 -33.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.29 -55.72 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 m-20 -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.681 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 13.5 tt0 -35.37 -53.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.24 -42.57 96.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.681 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -57.43 -38.08 73.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 1.033 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -59.51 -51.35 70.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.975 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.7 OUTLIER -66.18 -42.35 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 51.7 mm-40 -59.21 -28.29 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.53 -50.79 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.863 ' O ' HD12 ' B' ' 319' ' ' LEU . 0.1 OUTLIER -78.22 -23.82 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 316' ' ' LEU . 55.3 t -72.56 -53.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 8.6 t -61.8 -40.26 94.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.666 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -64.93 -35.68 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.793 HD13 ' NH1' ' A' ' 48' ' ' ARG . 6.0 mt -69.26 -39.49 78.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -54.73 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.53 51.05 4.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.713 ' HZ1' HD23 ' B' ' 323' ' ' LEU . 3.0 tppt? -41.29 123.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.36 -40.14 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -46.5 -31.83 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.583 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.2 m -51.06 -30.01 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.2 -61.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.82 -48.91 77.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.874 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.68 51.94 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -51.82 -22.01 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -31.8 33.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.874 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.74 -17.1 57.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.583 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.2 mtm180 -35.49 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -40.04 -63.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.52 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.8 mm? -99.46 -21.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 76.6 -51.66 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.784 HG21 ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -113.48 23.0 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.557 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -54.04 -32.9 55.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 1.107 ' N ' ' HZ2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.69 -26.91 67.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.997 HD22 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -76.61 -48.74 18.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.1 p -71.45 -3.47 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' B' ' 344' ' ' VAL . 41.7 tt0 -33.6 -34.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.62 54.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.457 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 34.96 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 353' ' ' SER . 1.5 mtmm 54.97 105.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 356' ' ' VAL . 2.1 mm? 60.83 62.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.1 m -31.38 102.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.52 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 4.86 4.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.656 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.2 -42.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 124.07 87.62 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.8 OUTLIER 90.52 -72.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 178.74 141.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.434 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -53.72 143.16 40.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.506 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -63.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' GLN . 81.6 p -38.69 -38.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.91 -29.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' HG ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -64.3 -46.54 83.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.41 -32.95 73.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -39.86 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -65.08 -66.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -50.67 -31.14 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -77.18 -26.69 53.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.816 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -70.96 -36.46 72.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.9 mm? -69.04 -27.52 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 9.7 mmtp -53.19 -37.73 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.587 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.42 -177.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 -35.76 3.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.2 m 91.56 83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.98 -60.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -95.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' GLN . 36.6 mt-30 -63.0 -54.81 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tt0 -29.93 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.547 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.6 pt20 -40.51 -49.89 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -74.55 -27.99 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.816 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.8 mt-30 -69.15 -52.63 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.85 -52.73 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.37 -32.66 74.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -59.13 -54.89 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -76.07 -43.54 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -55.67 -30.17 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -90.81 -32.79 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -89.87 4.26 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.606 ' N ' ' O ' ' A' ' 33' ' ' ILE . 25.2 m-80 -158.77 109.43 1.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -59.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.575 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.8 tt0 -47.31 -23.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -84.14 -42.59 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.5 ttt -50.4 -55.59 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.63 -33.88 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -68.86 -61.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.804 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.8 t80 -60.92 -55.21 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.583 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -41.73 -51.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -62.51 -38.05 88.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.809 ' OE1' HG13 ' B' ' 320' ' ' VAL . 10.7 tp60 -63.07 -32.62 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 1.042 HH21 HD13 ' B' ' 323' ' ' LEU . 4.4 mmp_? -77.64 -45.4 25.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.686 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -70.98 -15.08 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -11.14 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.2 tppt? -93.5 -25.85 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.696 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -103.78 -48.5 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.49 -39.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.26 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.8 m-20 -64.16 -52.12 60.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.978 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.783 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.608 ' O ' HD23 ' B' ' 316' ' ' LEU . 2.6 tt0 -36.79 -53.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.563 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.2 OUTLIER -66.06 -36.54 83.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.783 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -64.55 -33.96 77.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 11' ' ' LEU . 10.3 mp -65.76 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.789 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -59.95 -29.53 68.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.6 mm-40 -68.74 -33.83 74.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.15 -46.18 78.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.854 ' C ' HD13 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.46 -35.27 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.843 ' N ' HD13 ' B' ' 319' ' ' LEU . 23.1 t -64.06 -54.69 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.2 t -57.26 -45.72 83.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.047 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.522 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.54 -32.3 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 1.042 HD13 HH21 ' A' ' 48' ' ' ARG . 4.0 mt -72.27 -34.93 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -54.36 47.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.9 56.29 2.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.499 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -49.76 120.5 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.79 -36.01 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -46.55 -29.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.564 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.6 m -55.25 -31.44 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.51 -61.14 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.14 -42.45 98.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -81.36 48.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.62 ' HG3' HD22 ' B' ' 334' ' ' LEU . 6.8 pt-20 -52.47 -25.94 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.8 mm? -83.08 -50.41 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.801 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 12.9 t70 -68.7 -13.1 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.564 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.1 OUTLIER -37.66 -29.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -35.6 -52.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -110.41 -15.98 13.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 67.99 -56.67 0.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.887 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.7 pp -101.76 19.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.512 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 15.7 t70 -54.21 -15.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.677 ' HZ1' ' HB2' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.65 -25.27 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.887 HD13 ' HB ' ' B' ' 340' ' ' ILE . 5.4 mp -80.41 -32.66 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 357' ' ' PRO . 2.9 p -87.75 -4.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' B' ' 358' ' ' ARG . 1.3 tt0 -32.41 -45.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.989 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.937 HG22 ' H ' ' B' ' 353' ' ' SER . 2.5 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.726 HD13 ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -61.08 -11.76 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.937 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.7 OUTLIER 57.54 -154.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.048 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.42 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.625 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.5 mt -77.41 57.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' B' ' 356' ' ' VAL . 1.5 m -19.5 99.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.566 ' HB2' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 8.57 2.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.772 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.4 tmt_? -131.74 -72.22 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.587 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 179.48 -37.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.3 t -160.37 80.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.788 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.515 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.31 149.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' SER . 19.3 m -66.94 132.48 93.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 13.19 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 7' ' ' SER . 16.4 m -100.37 -11.84 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -81.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.911 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.17 -34.97 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' H ' HD22 ' A' ' 11' ' ' LEU . 64.9 mt-30 -67.79 -40.56 83.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.0 m-20 -72.5 -27.81 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CD2' ' A' ' 44' ' ' PHE . 13.7 tp -60.89 -64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.09 -37.5 74.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 ttt85 -66.37 -27.46 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.628 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' B' ' 322' ' ' PHE . 4.1 mt -47.74 -29.37 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.1 24.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.689 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.92 -171.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.689 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.616 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.78 81.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.635 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 164.35 -62.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -93.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 mm-40 -59.77 -52.25 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -29.09 -62.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.6 pt20 -40.76 -49.49 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.17 -29.99 62.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.628 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -69.13 -52.94 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -58.55 -53.29 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -61.49 -38.06 85.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -53.26 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.64 -49.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.73 HD12 ' NH2' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -47.25 -32.7 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.72 -25.93 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -85.19 -3.01 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.6 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.3 m-80 -164.13 112.49 0.93 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.515 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.0 tp-100 -45.28 -34.9 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD22 ' A' ' 14' ' ' LEU . 1.8 tm? -69.61 -47.16 64.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.652 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.1 ttt -55.51 -35.91 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.06 -36.28 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.92 -60.61 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.882 ' CD2' HD11 ' A' ' 14' ' ' LEU . 11.6 t80 -55.69 -54.79 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.43 -42.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -60.96 -40.88 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG2' HG23 ' B' ' 320' ' ' VAL . 9.4 mm-40 -68.88 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.73 ' NH2' HD12 ' A' ' 34' ' ' LEU . 9.0 mtm180 -62.91 -50.92 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.667 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -72.23 -19.99 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.38 -9.97 6.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE3' HD13 ' B' ' 338' ' ' LEU . 21.2 tptp -96.01 -24.57 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.777 ' CD1' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -104.79 -43.91 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -55.33 -25.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.24 13.2 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER 179.86 50.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm100 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.611 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -38.92 -50.7 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.846 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.26 -36.62 84.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.846 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.98 -32.9 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -64.93 -60.99 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.428 ' O ' HG12 ' B' ' 320' ' ' VAL . 1.9 pp -61.88 -30.59 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' B' ' 320' ' ' VAL . 7.7 mm-40 -68.52 -29.28 67.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 17.4 tt0 -75.56 -45.8 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.984 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -66.66 -49.16 67.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.984 ' N ' HD13 ' B' ' 319' ' ' LEU . 9.9 p -57.98 -48.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.449 ' N ' HG13 ' B' ' 320' ' ' VAL . 42.2 t -60.27 -45.32 93.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.98 -30.91 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.779 HD21 ' CD2' ' A' ' 18' ' ' LEU . 9.4 mt -64.85 -47.85 76.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -39.63 57.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -107.88 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -41.22 136.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -33.68 16.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -47.08 -24.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 62.5 m -54.29 -28.06 39.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -63.73 -71.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -48.9 63.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.06 53.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.759 ' HB2' HH21 ' B' ' 336' ' ' ARG . 16.2 pt-20 -50.41 -22.11 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -33.55 31.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.881 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.36 -13.83 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.759 HH21 ' HB2' ' B' ' 333' ' ' GLU . 12.9 mtm180 -36.09 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -43.69 -62.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.682 HD13 ' HE3' ' A' ' 51' ' ' LYS . 30.3 mt -103.81 -21.35 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.422 ' C ' ' OD2' ' B' ' 335' ' ' ASP . . . 69.27 -51.45 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.737 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -101.11 20.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.638 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -67.1 -2.16 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.645 ' N ' ' HD2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -90.08 -50.41 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.852 HD12 ' N ' ' B' ' 344' ' ' VAL . 1.4 pp -59.81 -24.35 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.852 ' N ' HD12 ' B' ' 343' ' ' LEU . 2.5 p -94.33 -12.91 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' B' ' 344' ' ' VAL . 20.4 tt0 -30.84 -40.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.48 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.777 HD22 ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 39.99 -103.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.4 t 147.19 -53.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -39.33 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -69.05 64.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.631 HG13 ' O ' ' B' ' 353' ' ' SER . 1.1 m -38.26 98.59 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.622 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.02 4.29 4.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.674 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.69 -49.92 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 125.51 73.24 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 84.92 79.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.958 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -158.95 152.71 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.494 ' H ' HD13 ' A' ' 6' ' ' ILE . 1.5 t -66.76 153.51 93.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -31.87 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.47 -56.2 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.97 -31.66 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.577 ' N ' HD22 ' A' ' 11' ' ' LEU . 6.0 mt-30 -74.39 -30.39 61.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.4 m-20 -77.15 -30.57 55.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -69.45 -64.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.019 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.85 -42.33 65.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 16.8 ttt180 -65.7 -41.16 92.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -53.83 -35.93 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.0 mm? -69.7 -24.08 63.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.4 mmtp -59.23 -34.14 71.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.43 -177.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -31.6 6.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.517 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.31 84.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.02 -102.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.34 -50.71 72.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.654 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -32.16 -60.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -41.71 -48.68 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.533 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 mt-30 -73.35 -28.44 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.81 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.7 mt-30 -67.16 -51.23 56.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -60.29 -54.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.23 -35.06 76.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.2 m-20 -58.87 -64.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.62 -60.62 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' A' ' 41' ' ' MET . 2.3 mt -36.69 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 mtmt -70.21 -53.91 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' ILE . 35.4 m -92.7 20.28 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 4.0 m-80 -142.21 86.2 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.4 Cg_endo -74.96 -79.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 23.0 tp60 -50.21 -22.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -83.68 -41.67 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.639 ' HA ' HD22 ' A' ' 34' ' ' LEU . 2.4 ttt -57.97 -27.26 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.91 -31.02 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB1' HG12 ' B' ' 320' ' ' VAL . . . -71.23 -61.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 14' ' ' LEU . 3.7 t80 -58.31 -53.6 56.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -46.17 -50.43 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.87 -42.3 89.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.52 -26.74 68.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.4 ttp180 -78.18 -49.01 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.639 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.3 t -78.27 -16.13 58.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.33 -11.8 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' CB ' HD11 ' B' ' 340' ' ' ILE . 0.8 OUTLIER -91.37 -27.71 18.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -101.82 -51.66 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.08 -30.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -58.04 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -88.62 18.29 4.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 mt-30 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.784 ' HA ' HD22 ' B' ' 315' ' ' LEU . 9.8 tt0 -47.73 -36.49 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.55 -31.78 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.63 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -75.26 -32.38 61.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -59.91 -60.84 3.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -62.88 -51.28 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 31.3 mm-40 -39.59 -40.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.08 -44.88 62.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.816 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -65.57 -47.02 77.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -66.02 -38.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 14.5 t -63.39 -46.51 86.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.43 -33.97 73.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.0 mt -69.53 -35.86 75.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -53.95 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.2 44.4 3.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.558 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.1 tppt? -41.89 124.71 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -34.21 58.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -44.94 -27.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.525 HG23 ' HD3' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -50.34 -31.22 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.23 -68.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -49.07 74.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.99 48.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' B' ' 334' ' ' LEU . 12.4 pt-20 -55.95 -21.6 21.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' B' ' 333' ' ' GLU . 6.0 mp -80.95 -36.04 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.533 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.84 -12.79 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -32.66 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.539 ' HB3' HD22 ' B' ' 338' ' ' LEU . . . -42.28 -49.95 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.629 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -110.38 -21.82 12.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 66.66 -56.72 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.866 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -93.22 20.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HA ' HG12 ' B' ' 344' ' ' VAL . 1.2 t0 -54.15 -12.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.698 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -84.93 -21.86 29.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.7 mm? -84.55 -38.36 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.795 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.7 p -78.9 -3.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.58 -45.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' B' ' 353' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.809 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.47 -27.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.586 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER 76.28 62.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 132.68 38.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.86 12.32 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' B' ' 355' ' ' LEU . 3.4 m 40.32 92.84 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.795 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 5.46 3.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.748 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.12 -67.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.556 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 154.89 69.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 4.3 p 86.19 80.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.778 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.738 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -161.56 141.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 3.4 m -69.02 143.48 94.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.903 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 10.93 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 13.8 m -101.49 -10.76 19.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.22 -62.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.911 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.43 -29.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.73 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.33 -40.99 64.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.6 m-20 -74.65 -29.57 61.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.95 -68.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -29.8 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -75.17 -23.79 57.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' HB2' ' A' ' 29' ' ' GLN . 2.3 m -75.97 -53.75 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' B' ' 343' ' ' LEU . 3.1 mm? -49.45 -26.05 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.2 mptm? -56.39 -37.43 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.4 -178.28 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -74.99 -33.06 4.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.536 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.08 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.23 -51.23 69.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.712 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.62 -59.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.568 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -41.86 -50.42 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -72.59 -26.61 61.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.777 ' HB2' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.87 -52.34 30.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.4 -52.56 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -60.11 -36.66 77.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.2 m-20 -58.8 -67.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.746 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.85 -60.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -39.71 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 33' ' ' ILE . 14.3 mttm -84.51 -53.93 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 49.5 m -78.1 1.3 21.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.1 m120 -145.73 101.96 4.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -55.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.57 -42.29 64.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.738 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -60.82 -52.74 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.88 -45.88 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.58 -46.09 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.01 -59.8 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.694 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.6 t80 -54.43 -57.33 11.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.787 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.01 -35.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.18 -50.11 67.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.855 ' HB2' HG23 ' B' ' 320' ' ' VAL . 18.8 tp60 -74.87 -13.0 60.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -95.71 -21.2 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.1 t -99.55 -17.66 17.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 -18.47 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CG ' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -82.24 -29.36 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.817 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -99.56 -59.59 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -39.7 -27.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -74.04 -65.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 24.6 p30 -64.75 -21.32 66.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.83 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.8 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 311' ' ' ASP . 11.7 tt0 -36.4 -57.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.894 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.91 -36.97 85.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.894 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.77 -33.39 75.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.609 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.6 mm? -63.93 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.7 pp -59.86 -25.92 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.648 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.5 mm-40 -73.8 -28.56 61.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -74.83 -46.79 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.914 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.92 -47.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.88 ' N ' HD13 ' B' ' 319' ' ' LEU . 4.0 p -62.12 -43.91 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.76 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.68 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.8 mt -63.73 -50.85 67.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -54.19 32.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.61 48.35 2.82 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.427 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.3 tppp? -40.69 121.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -36.95 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.4 tt0 -45.64 -26.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.557 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -52.07 -34.53 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.18 -44.8 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -48.47 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.4 50.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.13 -22.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -37.89 27.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.0 m-20 -79.14 -18.45 53.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.557 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.77 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.19 -58.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.544 HD12 ' CG ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -94.51 -18.12 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.64 -51.03 2.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.755 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.6 pp -111.81 15.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 1.2 t0 -49.09 -27.27 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -68.81 -28.51 66.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -75.92 -26.49 57.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.817 HG13 ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -89.41 -11.32 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.1 tm0? -32.61 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.469 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 344' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.665 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.91 8.66 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.5 t 82.66 -58.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.945 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 131.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 51.56 68.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.368 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 356' ' ' VAL . 16.5 m -37.72 102.93 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.64 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.3 Cg_endo -74.89 -2.67 12.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.993 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.56 -43.57 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 120.12 91.17 1.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.69 65.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.666 ' CD1' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -163.12 147.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 4.1 m -82.77 144.82 49.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.64 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.93 10.47 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 62.2 m -100.97 -10.06 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.69 -63.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.78 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.33 -29.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.586 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.8 tt0 -73.26 -40.52 64.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.9 m-20 -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 44' ' ' PHE . 2.4 tp -65.97 -68.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -30.19 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 1.4 ttt-85 -74.16 -27.22 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -72.1 -47.47 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.8 mm? -57.92 -28.6 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.4 mptp? -53.72 -34.43 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.65 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 p -52.56 -173.21 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -75.01 -35.35 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.646 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 m 87.61 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.76 -62.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.0 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 7.1 mt-30 -60.82 -52.02 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.728 ' O ' HG13 ' A' ' 30' ' ' VAL . 3.7 tm0? -29.44 -61.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.569 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.4 pt20 -41.01 -50.7 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.05 -27.84 61.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.827 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.7 mm100 -67.86 -52.25 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.29 -52.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.93 -32.75 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -60.03 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.33 -61.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' NH2' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -37.1 -35.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ILE . 6.0 mtmm -62.26 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 m -100.17 18.98 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -122.74 90.27 49.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.555 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 15.8 mt-30 -75.75 -15.88 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD12 HD22 ' A' ' 14' ' ' LEU . 2.7 mm? -86.32 -55.1 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -49.72 -49.44 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.95 -42.73 76.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -58.55 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.965 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.8 t80 -57.17 -56.04 26.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.737 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.43 -34.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -68.73 -47.3 66.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.704 HE21 HG13 ' B' ' 320' ' ' VAL . 8.8 tp-100 -73.57 -17.2 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.617 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -91.13 -31.27 16.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.613 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 14.8 t -88.51 -15.65 34.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -11.11 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.709 ' HG2' HD11 ' B' ' 340' ' ' ILE . 11.0 tppt? -89.5 -23.95 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.0 -45.38 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -22.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.42 16.39 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' TYR . 58.1 m-20 -143.51 -46.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.721 ' HA ' HD22 ' B' ' 315' ' ' LEU . 28.5 tt0 -45.23 -39.52 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -51.78 -29.79 20.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.524 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -76.43 -28.36 56.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -64.83 -59.07 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.833 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.32 -35.38 80.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.4 mm-40 -68.12 -31.93 71.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' B' ' 314' ' ' ALA . 5.0 tp-100 -67.89 -47.1 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.87 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -74.47 -34.0 63.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.833 HG23 ' O ' ' B' ' 316' ' ' LEU . 38.5 t -65.88 -54.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.0 t -58.91 -41.3 86.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -34.0 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' B' ' 323' ' ' LEU . 5.3 mt -66.25 -50.25 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -50.65 64.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.49 44.59 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 125.23 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.11 -41.08 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -45.29 -26.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -33.25 21.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.36 -53.15 61.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.41 -50.13 13.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.41 50.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.77 -22.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.16 -42.92 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' B' ' 337' ' ' ALA . 17.7 m-20 -76.22 -15.91 59.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -27.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.51 -60.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' B' ' 341' ' ' ASP . 2.3 mt -96.18 -19.15 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.418 ' C ' HG23 ' B' ' 340' ' ' ILE . . . 78.93 -6.55 55.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.748 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.2 pp -152.86 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.45 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -53.34 -28.08 26.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -21.99 63.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 323' ' ' LEU . 0.1 OUTLIER -80.87 -31.47 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -83.79 -8.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.0 tt0 -34.04 -36.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.578 HG22 ' N ' ' B' ' 352' ' ' LEU . 3.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.657 HD22 ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -91.9 25.44 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.7 -66.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 355' ' ' LEU . 10.1 ttmt -40.23 126.17 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 354' ' ' LYS . 4.2 mm? 58.91 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.84 95.42 33.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.5 Cg_endo -74.95 4.35 4.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.906 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -131.03 -42.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.555 ' H ' HD11 ' B' ' 361' ' ' LEU . . . 119.4 73.75 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.602 ' C ' HD12 ' B' ' 361' ' ' LEU . 1.7 t 87.28 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.906 HD21 ' HB2' ' B' ' 358' ' ' ARG . 1.7 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.69 HG13 HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 173.8 143.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 9' ' ' SER . 12.1 m -69.02 136.44 89.55 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.621 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 12.5 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 7' ' ' SER . 19.7 m -101.73 -10.74 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.44 -63.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.777 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.32 -29.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.584 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.8 mm-40 -73.8 -40.26 63.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 10' ' ' ALA . 19.9 m-20 -73.11 -32.35 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.993 HD23 ' HG ' ' B' ' 319' ' ' LEU . 4.4 tp -66.89 -66.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.84 -34.15 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 2.1 ttm180 -74.44 -27.99 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -69.65 -43.99 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 3.0 mm? -61.19 -28.38 69.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -52.55 -35.72 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.582 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.92 -177.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 t 88.94 83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.01 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -100.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -61.61 -50.46 72.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.5 tm0? -32.19 -58.55 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.6 pt20 -42.43 -50.03 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.3 -25.34 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.842 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.9 mm100 -67.74 -47.52 69.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -63.46 -51.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -35.92 82.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 10.9 m-20 -57.31 -58.84 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.892 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.68 -60.38 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.517 HD13 HG13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -36.79 -34.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.6 mttt -63.52 -52.81 59.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -97.56 16.17 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -122.65 91.21 49.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 1.1 tp-100 -73.52 -15.16 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD22 HG13 ' A' ' 6' ' ' ILE . 1.6 mm? -82.95 -54.8 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' ILE . 19.1 ttt -50.93 -44.32 60.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -51.35 -42.56 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -59.5 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.5 t80 -57.33 -58.21 9.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.24 -50.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.47 -36.74 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 1.001 ' CD ' HD13 ' B' ' 343' ' ' LEU . 0.6 OUTLIER -78.01 -47.62 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.614 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.6 t -61.58 -24.63 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.454 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.6 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.866 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -91.1 -28.88 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.698 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.09 -42.67 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -57.19 -37.97 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.9 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.0 -42.07 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.966 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.815 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.9 OUTLIER -38.64 -60.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.622 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -60.95 -33.05 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.815 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -67.67 -33.48 75.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.746 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mm? -64.8 -61.35 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -60.44 -31.65 70.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.9 mm-40 -68.95 -31.88 71.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.993 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.53 -35.56 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.858 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -63.26 -55.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.2 t -57.15 -44.56 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.3 -31.76 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.991 HD13 HH21 ' A' ' 48' ' ' ARG . 5.3 mt -68.83 -44.4 73.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -52.61 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.44 58.01 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER -46.84 121.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.02 -37.57 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.49 -22.43 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 28.0 m -50.75 -24.91 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.6 -49.75 69.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -53.41 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -79.99 52.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -50.1 -22.93 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.45 ' C ' HD13 ' B' ' 334' ' ' LEU . 1.7 tm? -81.92 -52.05 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.3 OUTLIER -69.89 -14.61 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.59 ' HA ' HG23 ' B' ' 329' ' ' THR . 75.2 ttt180 -39.87 -27.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.23 -49.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.866 HD13 ' HE3' ' A' ' 51' ' ' LYS . 8.7 mt -103.02 -23.67 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.771 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.17 -1.75 31.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.89 ' CG2' HD21 ' B' ' 343' ' ' LEU . 1.7 pp -161.36 25.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -70.24 -5.92 31.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.47 -51.67 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 1.001 HD13 ' CD ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -60.18 -12.89 9.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 340' ' ' ILE . 6.5 t -101.18 -13.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 20.0 tt0 -29.85 -44.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.519 HG23 ' H ' ' B' ' 353' ' ' SER . 1.1 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.753 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -40.33 -28.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 88.75 -51.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 356' ' ' VAL . 4.8 tttt -49.21 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -69.66 64.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.592 HG12 HD23 ' B' ' 361' ' ' LEU . 6.9 m -33.75 98.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.02 2.99 6.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.862 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -124.5 -57.84 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.622 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 137.45 74.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 84.63 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.95 166.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 6' ' ' ILE . 75.2 m -85.73 156.31 58.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -72.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.626 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.9 p -18.96 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -39.83 -49.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.029 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.6 -46.88 58.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.934 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.2 mt-30 -66.09 -30.77 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -35.37 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -68.15 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.03 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.04 -34.37 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 13.2 ttm-85 -76.0 -28.04 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.748 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -73.28 -34.18 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -67.37 -26.85 66.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -56.89 -32.06 65.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.631 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.63 -174.88 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -35.8 2.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.64 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.9 p 87.17 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.07 -62.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.96 -97.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -60.58 -49.9 75.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 tm0? -31.64 -60.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.0 pt20 -40.97 -49.22 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.2 -28.61 62.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.748 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -70.31 -54.74 11.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.88 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -55.27 -49.08 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.24 -32.05 73.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.6 m-20 -59.97 -56.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.42 -46.1 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.26 -30.73 60.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.86 -34.62 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ASN . 18.9 m -79.91 -4.08 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.848 ' HB2' HD22 ' A' ' 40' ' ' LEU . 1.6 m-80 -158.54 108.15 1.65 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -70.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.2 tp60 -43.21 -26.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.15 -44.33 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.618 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.46 -28.3 63.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 45' ' ' ILE . . . -60.39 -38.83 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.73 61.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HE2' HD21 ' A' ' 18' ' ' LEU . 3.0 t80 -69.05 -56.85 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.83 -46.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -71.15 -35.08 71.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' HA ' ' NE2' ' A' ' 47' ' ' GLN . 1.5 tp60 -66.17 -44.42 84.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 4.3 ptt180 -72.4 -40.52 67.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' LYS . 2.2 t -72.46 -18.95 61.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.45 -13.29 12.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.88 ' HG2' HD11 ' B' ' 340' ' ' ILE . 4.6 tppt? -91.12 -31.99 16.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.965 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.5 -50.25 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.47 -27.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -44.63 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.526 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -103.82 18.79 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.6 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.746 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.8 m-20 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -38.95 -57.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.744 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.1 -35.9 78.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.746 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.96 -33.81 76.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.585 HD12 ' CD1' ' A' ' 11' ' ' LEU . 4.2 mm? -64.36 -60.93 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.6 pp -60.68 -31.94 71.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.9 mm-40 -68.23 -30.03 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.99 -47.03 66.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -71.83 -50.05 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 1.018 ' N ' HD13 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -57.93 -39.04 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 12.1 t -62.19 -52.48 63.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.628 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.03 -29.71 67.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' A' ' 18' ' ' LEU . 8.4 mt -66.88 -49.11 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -53.24 38.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.956 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -90.07 50.79 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.774 ' HB2' HG22 ' B' ' 340' ' ' ILE . 0.3 OUTLIER -41.2 119.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -27.02 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -24.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.642 ' HA ' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -62.23 -30.61 71.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.6 -44.32 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -49.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.437 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -78.92 55.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.92 -23.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -80.73 -49.54 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.437 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.9 OUTLIER -61.06 -15.51 33.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -49.56 -20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -36.52 -62.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' B' ' 341' ' ' ASP . 74.7 mt -96.63 -17.59 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 88.06 -28.94 5.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.88 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -132.71 8.58 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.33 -18.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.642 ' HZ1' ' HA ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.51 -9.17 59.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -100.88 -15.07 17.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.926 ' N ' HD23 ' B' ' 343' ' ' LEU . 1.3 p -113.07 -3.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.3 mt-30 -28.87 -46.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.796 HG23 ' CG2' ' B' ' 344' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.965 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -84.66 14.55 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 354' ' ' LYS . 16.9 t 62.94 -72.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' B' ' 352' ' ' LEU . 6.2 tttt -45.35 172.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 2.7 mp 42.73 58.37 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 356' ' ' VAL . 17.2 m -37.38 98.25 0.15 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.464 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.94 1.05 8.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.761 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.69 -45.11 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 144.49 -41.77 1.07 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.554 ' C ' HD22 ' B' ' 361' ' ' LEU . 96.2 p -160.31 93.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.804 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.704 HG13 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 175.6 147.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 9' ' ' SER . 25.0 m -79.82 137.95 54.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.624 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 12.65 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 7' ' ' SER . 76.9 p -102.56 -10.5 19.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -85.7 -63.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.69 -28.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.563 ' H ' HD22 ' A' ' 11' ' ' LEU . 6.7 mt-30 -74.58 -41.14 61.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.36 -35.57 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -65.46 -68.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.737 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -50.12 -29.92 10.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 10.6 ttm180 -75.84 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -67.64 -44.22 78.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -55.15 -25.01 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 6.4 mmtt -54.89 -37.87 66.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.35 -176.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -34.6 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.588 ' CB ' ' NE2' ' A' ' 26' ' ' GLN . 4.5 p 89.07 82.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.92 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -96.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.53 -54.88 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.71 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tt0 -29.47 -60.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.8 pt20 -40.78 -50.62 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.1 mt-30 -73.73 -26.33 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mm100 -68.89 -50.52 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.78 -52.0 66.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.49 -32.7 74.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -59.63 -59.87 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.1 -59.42 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -37.75 -34.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 4.1 mttt -64.18 -52.09 60.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 33' ' ' ILE . 65.0 m -96.91 16.76 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 1.9 m-80 -127.82 90.74 47.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' HG13 ' A' ' 6' ' ' ILE . 1.2 tt0 -65.86 -18.2 65.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -85.28 -55.46 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -48.95 -48.96 42.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.16 -44.33 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -60.47 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HD2' HD23 ' A' ' 14' ' ' LEU . 5.3 t80 -52.81 -56.42 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.98 -41.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -62.47 -35.95 80.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.656 ' OE1' HG13 ' B' ' 320' ' ' VAL . 35.7 tp60 -76.98 -26.33 53.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.773 HH11 HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -76.18 -41.1 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.64 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.3 t -83.36 -18.7 37.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -59.03 -13.57 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.9 OUTLIER -85.8 -24.4 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.7 -53.63 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.53 -39.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.73 70.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -88.39 -12.85 42.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.5 mm-40 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.778 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.8 t70 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.6 pt-20 -37.56 -59.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.619 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.36 -31.84 71.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.778 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -68.25 -32.44 72.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.634 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.3 mm? -66.97 -62.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.776 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.3 -25.19 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 25.6 mm-40 -73.48 -35.83 65.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.675 ' HG3' ' N ' ' B' ' 319' ' ' LEU . 0.9 OUTLIER -67.26 -36.26 81.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.675 ' N ' ' HG3' ' B' ' 318' ' ' GLN . 0.1 OUTLIER -84.1 -35.27 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 316' ' ' LEU . 11.6 t -64.07 -50.13 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -47.33 77.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -57.87 -32.46 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.773 HD13 HH11 ' A' ' 48' ' ' ARG . 6.0 mt -72.29 -46.51 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -53.93 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.52 51.5 4.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.0 OUTLIER -42.44 125.41 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.57 -32.33 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.05 -31.36 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -51.12 -27.47 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.84 -71.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.674 HD12 ' N ' ' B' ' 332' ' ' ALA . 3.9 pp -67.64 -30.98 70.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.674 ' N ' HD12 ' B' ' 331' ' ' LEU . . . -80.56 50.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.4 -22.8 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.3 OUTLIER -79.22 -51.98 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.5 ' CG ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.43 -15.57 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.1 OUTLIER -36.56 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.79 -63.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.9 -19.08 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.504 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 74.64 -5.1 31.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.74 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.3 pp -156.45 22.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.475 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.6 OUTLIER -57.37 -24.79 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.5 ' NZ ' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -74.11 -18.04 60.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -84.95 -41.91 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.841 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.7 p -80.36 -4.85 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.2 mt-30 -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.983 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.836 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.34 107.62 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER -59.68 -149.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.13 -88.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 353' ' ' SER . 6.9 mt -77.18 56.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -38.23 102.11 0.24 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.841 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.02 -0.13 9.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.782 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -115.43 -42.78 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.09 -45.99 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.634 ' C ' HD22 ' B' ' 361' ' ' LEU . 12.0 t -154.8 93.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.819 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -153.57 151.12 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.537 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.4 m -54.68 146.16 36.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.604 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 -78.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLN . 87.3 p -36.09 -39.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.63 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -41.18 -31.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -66.51 -50.1 64.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.592 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -63.84 -29.89 71.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -35.26 67.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.015 ' CD2' HD21 ' A' ' 40' ' ' LEU . 1.6 tp -67.95 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.96 -37.4 44.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 8.4 ttm-85 -72.85 -32.34 65.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.39 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.971 HD21 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mt -75.88 -28.9 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -54.48 -22.24 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -60.36 -175.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -34.18 4.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 23' ' ' SER . 2.4 m 86.96 89.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 156.31 -60.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.94 -102.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 33.8 mt-30 -62.93 -51.31 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -31.09 -59.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.12 -50.11 4.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.96 -27.29 61.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.7 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.5 mm100 -68.65 -52.61 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.24 -53.45 47.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.08 -35.28 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 3.9 m-20 -57.66 -68.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -56.28 -63.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.56 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ILE . 9.3 mtmt -81.23 -51.15 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -80.36 4.64 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.777 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -150.66 90.27 4.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.02 -77.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 4.4 tp-100 -43.96 -23.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.015 HD21 ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -46.88 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.55 -24.77 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.67 -45.45 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' B' ' 316' ' ' LEU . . . -63.86 -60.62 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' HD21 ' A' ' 18' ' ' LEU . 1.6 t80 -53.89 -56.28 19.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -47.73 -35.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.797 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 4.5 mmpt? -74.67 -32.5 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -71.73 -47.55 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 5.3 ptt180 -69.0 -42.11 76.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.9 t -75.19 -20.33 59.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.84 -9.66 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.723 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -90.14 -24.68 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 1.046 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -109.04 -52.88 2.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.64 -34.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 16.6 m-20 -54.3 -43.5 71.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.775 ' HA ' HD22 ' B' ' 315' ' ' LEU . 3.0 tt0 -61.46 -53.89 50.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.87 -32.92 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.582 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -74.6 -34.77 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.0 OUTLIER -62.69 -46.46 88.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.823 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -77.33 -50.35 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 4.2 mm-40 -39.11 -48.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.709 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -65.11 -43.8 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.97 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.823 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -55.38 -36.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.5 m -57.93 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.19 -32.67 71.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 18' ' ' LEU . 9.0 mt -64.77 -44.31 90.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -47.68 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.36 46.79 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.517 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.2 tppp? -42.33 122.63 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -35.81 73.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.31 -27.97 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.616 HG23 ' HA ' ' B' ' 336' ' ' ARG . 7.5 m -53.9 -27.94 33.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.56 -56.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -46.52 58.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.58 54.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 11.4 pt-20 -51.74 -20.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.84 -32.33 27.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.34 -15.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.9 OUTLIER -36.15 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -47.22 -62.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.723 HD23 ' CG ' ' A' ' 51' ' ' LYS . 5.6 mp -94.59 -22.81 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.518 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 65.82 6.42 30.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -156.2 22.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.411 ' OD2' ' HA ' ' B' ' 357' ' ' PRO . 2.0 t0 -46.49 -23.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.04 -42.92 68.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 18' ' ' LEU . 2.8 mp -67.02 -12.35 59.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 1.046 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -100.51 -15.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.2 tt0 -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.763 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.904 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER 15.71 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.436 ' H ' HD23 ' B' ' 352' ' ' LEU . 2.4 p 165.53 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 137.28 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.17 72.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.609 HG12 HD23 ' B' ' 361' ' ' LEU . 2.1 m -41.83 103.96 0.33 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.99 4.66 4.54 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.2 ttp85 -122.13 -49.91 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 148.74 -39.09 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.433 ' C ' HD22 ' B' ' 361' ' ' LEU . 55.6 p -162.33 87.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.822 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -145.97 140.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.42 128.57 32.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 1.087 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 3.61 5.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -102.05 -11.29 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.702 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -79.53 -59.19 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.087 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -41.97 -29.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.751 ' H ' HD22 ' A' ' 11' ' ' LEU . 55.3 mt-30 -70.18 -40.85 74.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.2 m-20 -71.88 -28.55 63.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' A' ' 44' ' ' PHE . 9.2 tp -65.6 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' CD ' ' B' ' 318' ' ' GLN . 0.0 OUTLIER -50.79 -33.28 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 39.9 ttt180 -75.74 -27.74 58.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.771 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.1 m -68.42 -44.81 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.795 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -56.9 -28.96 62.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' B' ' 322' ' ' PHE . 29.0 mmtt -53.2 -29.64 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.68 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -53.54 -172.34 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.96 71.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 175.2 -63.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -98.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.6 mt-30 -54.6 -51.8 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.782 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.5 tp-100 -26.6 -62.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -43.79 -49.35 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.14 -31.28 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.771 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.8 mm100 -66.36 -53.61 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -58.01 -54.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.58 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.28 -32.99 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -59.83 -68.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.14 -53.22 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.5 mt -47.05 -29.27 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.8 mttm -81.05 -49.54 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 0.52 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 1.052 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -155.86 109.02 2.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.38 -41.5 13.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.052 HD12 ' CB ' ' A' ' 37' ' ' ASN . 18.5 mt -59.63 -54.66 43.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -47.93 -43.78 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.81 -43.63 81.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.25 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 14' ' ' LEU . 19.5 t80 -57.22 -55.78 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.775 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.62 -40.03 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -62.33 -48.12 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.909 ' HG2' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -74.16 -18.23 60.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.585 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -86.57 -31.29 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.619 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 10.5 t -89.61 -16.54 30.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.66 -13.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HG3' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -88.95 -34.36 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.977 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -97.56 -50.46 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.93 -41.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.29 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -58.49 -49.97 75.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.964 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 9.0 t70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -43.81 -55.74 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.531 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.15 -28.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -77.57 -35.49 53.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -60.94 -59.32 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 1.045 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.12 -47.69 84.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 32.7 mm-40 -45.91 -40.25 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.726 ' CD ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.26 -43.98 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.707 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.47 -59.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 1.045 HG12 ' O ' ' B' ' 316' ' ' LEU . 1.3 p -53.42 -39.34 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.7 t -59.49 -41.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.4 -32.68 62.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.1 mt -59.48 -45.24 92.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.9 -51.95 53.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.32 50.97 3.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.476 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.93 122.24 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -36.69 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -47.88 -29.67 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.409 HG21 ' NH1' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -51.46 -25.61 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -56.64 -68.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -49.87 74.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.677 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.79 51.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -48.49 -23.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -48.77 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.677 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 70.8 m-20 -61.1 -15.36 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' B' ' 336' ' ' ARG . 1.0 OUTLIER -39.56 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.9 -62.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' B' ' 341' ' ' ASP . 53.0 mt -88.93 -29.99 19.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.11 -12.47 24.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.786 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.2 pp -148.17 16.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.75 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.71 -25.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.428 ' HE2' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -66.66 -33.47 75.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.495 ' N ' HD22 ' B' ' 343' ' ' LEU . 2.6 mm? -80.11 -21.04 43.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.977 HG13 ' CE1' ' A' ' 52' ' ' TYR . 3.2 t -86.38 -10.35 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.412 ' HA ' ' C ' ' B' ' 357' ' ' PRO . 7.5 pt20 -38.48 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.805 HG23 ' H ' ' B' ' 353' ' ' SER . 3.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.757 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.23 -13.47 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.805 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.4 t 88.29 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 102.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.6 mp 67.21 89.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.9 m -37.88 102.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.459 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.05 3.14 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.715 ' CB ' HD11 ' B' ' 361' ' ' LEU . 1.5 ttp85 -122.11 -44.51 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.43 -43.19 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.582 ' C ' HD22 ' B' ' 361' ' ' LEU . 11.4 t -155.53 91.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.822 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.5 161.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.591 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.8 m -74.23 142.68 79.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -60.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 57.7 p -38.25 -37.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -43.1 -32.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.623 HD12 ' OE1' ' B' ' 318' ' ' GLN . 0.2 OUTLIER -63.35 -46.8 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -62.71 -31.64 72.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.94 -38.78 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' B' ' 319' ' ' LEU . 1.3 tp -60.92 -67.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.07 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.34 -38.07 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 4.3 ttm180 -61.22 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.762 HG22 ' OE1' ' A' ' 26' ' ' GLN . 1.3 m -69.34 -51.07 40.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.849 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 7.0 mmtt -52.93 -31.88 42.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.667 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.58 -173.08 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.589 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 88.1 79.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 167.07 -62.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -96.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -58.01 -53.0 63.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.762 ' OE1' HG22 ' A' ' 17' ' ' THR . 1.5 tp-100 -27.85 -62.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -41.45 -49.89 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.37 -27.72 60.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.721 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.4 mm100 -70.98 -53.69 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -57.04 -50.66 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.75 -31.1 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -59.23 -53.48 57.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -76.52 -42.71 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -57.4 -30.49 64.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.3 ptpt -90.6 -31.0 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.468 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 18.4 m -88.76 1.7 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.858 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.5 m-80 -160.37 114.28 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.07 -40.04 14.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.7 mm? -60.95 -51.09 70.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.567 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.5 ttt -50.56 -46.37 57.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.75 -40.12 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -62.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.7 t80 -57.39 -56.19 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.578 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.36 -49.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.01 -41.39 92.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 3.6 mm-40 -61.66 -45.05 95.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 6.8 mtp180 -63.79 -49.66 72.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -66.7 -25.14 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -7.9 10.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' HD11 ' B' ' 340' ' ' ILE . 2.3 tppt? -93.98 -23.29 18.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.4 -45.11 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.39 -24.45 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.48 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.15 49.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.957 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.618 ' HA ' HD23 ' B' ' 315' ' ' LEU . 12.0 tt0 -58.64 -37.61 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -53.01 -31.34 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.575 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -72.57 -35.15 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' B' ' 312' ' ' GLU . 3.8 mm? -59.96 -59.56 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.965 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.23 -38.33 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.671 ' HA ' HG22 ' B' ' 320' ' ' VAL . 3.9 mm-40 -53.15 -38.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.623 ' OE1' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -64.82 -45.58 85.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.36 -56.18 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.965 HG13 ' O ' ' B' ' 316' ' ' LEU . 2.3 m -53.5 -38.53 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 13.5 t -60.88 -53.76 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.854 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.35 -30.29 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.849 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.5 mt -66.38 -44.02 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -48.54 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 325' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -96.98 50.43 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.411 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.5 tppp? -40.62 125.43 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.54 -25.94 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.36 -32.25 64.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -51.02 -33.06 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.62 -75.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.51 -52.8 43.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.22 51.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 333' ' ' GLU . . . . . 0.451 ' HG3' HD22 ' B' ' 334' ' ' LEU . 11.8 pt-20 -50.77 -22.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -78.76 -31.4 46.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.593 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 1.1 p-10 -73.38 -16.21 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.462 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.2 OUTLIER -36.6 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.17 -63.28 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.538 HD23 ' CG ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -107.04 -13.05 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.424 ' O ' ' OD2' ' B' ' 335' ' ' ASP . . . 71.78 -53.97 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.736 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -109.24 21.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -52.93 -15.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -84.64 -30.14 25.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.541 HD23 ' HB ' ' B' ' 340' ' ' ILE . 3.4 mm? -75.17 -29.9 60.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.5 p -92.27 -4.71 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' B' ' 344' ' ' VAL . 61.4 tt0 -36.14 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.567 HG21 ' HD2' ' B' ' 357' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.871 HD13 ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.66 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 4.0 t 159.39 -61.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.5 152.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 338' ' ' LEU . 0.8 OUTLIER 49.88 56.98 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.691 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -39.07 98.98 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.775 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.685 ' CB ' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -122.72 -40.4 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.81 93.7 1.45 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 85.52 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.038 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.691 HD23 HG12 ' B' ' 356' ' ' VAL . 2.2 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -158.68 148.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 9' ' ' SER . 54.7 m -64.97 133.05 95.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.676 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 13.16 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 7' ' ' SER . 44.7 p -101.65 -12.21 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.48 -63.34 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.901 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.67 -33.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.594 ' H ' HD22 ' A' ' 11' ' ' LEU . 34.6 mt-30 -71.29 -41.81 69.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.5 m-20 -70.06 -30.03 67.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 40' ' ' LEU . 2.5 tt -64.55 -67.38 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -31.68 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttm-85 -77.68 -20.77 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -76.46 -51.52 11.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HG ' HD21 ' B' ' 323' ' ' LEU . 0.3 OUTLIER -46.92 -24.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 10.1 mptt -59.27 -34.24 72.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.1 -176.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.03 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.606 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.8 p 89.35 84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.74 -61.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -75.03 -99.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' GLN . 45.8 mt-30 -60.71 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.606 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.32 -59.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.4 pt20 -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -71.16 -22.97 61.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.0 mt-30 -73.34 -53.81 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.836 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -56.47 -48.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.14 -30.78 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.9 m-20 -61.41 -56.26 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -71.28 -40.39 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.836 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.83 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 8.3 ptpt -92.53 -47.51 7.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.506 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.6 m -75.4 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.9 m120 -143.87 101.86 4.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.94 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 49.1 tp60 -44.23 -26.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -78.02 -49.2 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -52.8 -24.99 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -58.69 -39.56 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.12 -59.38 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.707 ' CD2' HD21 ' A' ' 14' ' ' LEU . 3.5 t80 -53.23 -55.42 24.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.01 -43.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -61.33 -39.16 89.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 55.3 mm-40 -69.18 -44.23 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.723 ' NH1' HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -60.59 -51.24 70.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.709 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.7 t -70.69 -22.22 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.52 -11.47 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -95.06 -31.08 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.931 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.47 -49.9 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -42.59 -27.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -71.83 -55.7 7.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 5.0 p30 -83.34 3.77 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 1.6 tt0 -33.39 -61.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.896 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -55.88 -45.17 78.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.896 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -58.73 -42.12 88.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.563 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -52.27 -43.81 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -73.54 -51.5 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' B' ' 321' ' ' SER . 3.3 mt-10 -38.96 -38.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -75.43 -48.14 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.859 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.28 -57.62 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' B' ' 316' ' ' LEU . 3.1 m -48.87 -50.54 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 38.9 t -57.66 -50.51 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.68 -31.15 71.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.713 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.5 mt -69.71 -41.52 75.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -54.09 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.68 56.5 4.14 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.673 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 0.7 OUTLIER -45.12 135.71 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 5.2 m-20 -82.17 -43.64 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -46.04 -29.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.556 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.7 -32.62 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.357 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.04 -52.4 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -80.68 48.61 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.97 -22.41 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.439 ' H ' HD12 ' B' ' 334' ' ' LEU . 4.5 mp -75.66 -52.28 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 30.6 m-20 -75.58 -12.92 60.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.556 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.64 -30.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.53 -42.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.724 HD23 ' HE3' ' A' ' 51' ' ' LYS . 2.9 mt -109.2 -19.86 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.07 -55.15 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.759 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.5 pp -104.63 15.13 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.572 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -61.03 -9.37 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 2.4 mppt? -88.17 -19.66 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.673 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mp -88.64 -37.62 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.79 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.3 p -78.94 -3.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' B' ' 358' ' ' ARG . 0.3 OUTLIER -35.27 -42.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.452 HG11 ' O ' ' B' ' 344' ' ' VAL . 32.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -97.93 103.04 14.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 352' ' ' LEU . 3.3 m -36.02 -46.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -38.89 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.8 mt 40.57 64.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.7 m -37.03 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.79 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.98 5.33 4.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.75 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 147.87 67.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 88.39 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.647 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.6 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' ILE . 63.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 80.87 159.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.51 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.26 142.34 86.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.4 Cg_endo -74.97 -62.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' GLN . 56.3 m -38.83 -38.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -31.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -63.85 -48.08 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.15 -39.95 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.93 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.58 -33.64 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 1.9 ttt85 -75.21 -27.74 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.1 m -69.83 -30.54 68.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.708 HD21 ' HE2' ' A' ' 44' ' ' PHE . 2.3 mm? -71.82 -30.16 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -52.91 -32.96 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.6 -177.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.94 -35.43 3.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 m 88.79 83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.74 -61.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 72.0 mt-30 -60.77 -49.63 76.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -32.72 -59.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.539 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.41 -27.23 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.819 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.7 mt-30 -69.61 -53.3 19.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.922 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.18 -52.19 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.99 -32.75 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.8 m-20 -59.95 -68.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.56 -48.79 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 -28.92 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -86.46 -50.38 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -3.66 20.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.7 m-80 -152.85 105.89 2.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -69.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 2.7 tp-100 -46.16 -25.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.66 ' C ' HD13 ' A' ' 40' ' ' LEU . 2.1 tm? -73.63 -49.91 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -54.08 -31.96 53.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.47 -44.5 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.06 -54.88 17.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.708 ' HE2' HD21 ' A' ' 18' ' ' LEU . 2.2 t80 -59.1 -55.99 27.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.742 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.74 -37.94 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -64.42 -49.53 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -74.94 -12.04 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.57 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -93.03 -28.96 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.618 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -98.98 -11.08 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -12.32 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.8 tppm? -86.04 -25.77 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.843 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.6 -49.8 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.91 -34.83 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.23 -52.76 37.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.8 m-20 -61.81 -48.25 81.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.975 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.54 ' HA ' HD22 ' B' ' 315' ' ' LEU . 41.5 tt0 -43.17 -41.9 3.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.554 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -47.95 -41.22 24.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.554 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -63.59 -38.71 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.724 ' CB ' HD13 ' A' ' 11' ' ' LEU . 2.1 mp -56.84 -41.91 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.892 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -76.88 -39.88 49.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.514 ' HA ' HG22 ' B' ' 320' ' ' VAL . 2.9 mt-10 -54.9 -31.64 60.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' B' ' 314' ' ' ALA . 0.4 OUTLIER -75.3 -52.51 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.849 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.0 -55.21 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.892 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -51.19 -39.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 3.1 m -63.93 -51.07 66.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.88 -30.55 71.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.0 mt -69.18 -48.91 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -50.11 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.92 47.98 2.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.559 ' HZ1' HD12 ' A' ' 18' ' ' LEU . 2.0 tppp? -42.27 114.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 0.1 OUTLIER -75.05 -31.95 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.5 tp10 -47.28 -23.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.498 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -59.23 -23.91 62.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 330' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.6 OUTLIER -67.3 -33.07 74.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.539 ' C ' HD23 ' B' ' 331' ' ' LEU . 3.4 tt -86.43 -54.39 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.515 ' N ' HD23 ' B' ' 331' ' ' LEU . . . -79.38 55.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -45.67 -24.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 334' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 334' ' ' LEU . 4.0 tp -81.09 -52.63 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.484 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 79.3 m-20 -60.15 -15.54 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.498 ' HG3' HG23 ' B' ' 329' ' ' THR . 8.8 ttm180 -42.29 -27.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.32 -61.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 1.014 HD12 ' OD1' ' B' ' 341' ' ' ASP . 72.3 mt -101.86 -15.64 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.18 -53.63 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.886 ' HB ' HD22 ' B' ' 343' ' ' LEU . 1.8 pp -98.11 19.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 1.014 ' OD1' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.1 -18.23 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.3 OUTLIER -82.07 -22.05 36.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -83.23 -43.56 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.745 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -73.4 -4.51 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.457 ' CG ' ' HG2' ' B' ' 358' ' ' ARG . 2.5 tt0 -36.08 -45.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.984 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.615 HG22 ' H ' ' B' ' 353' ' ' SER . 3.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.42 22.41 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.615 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.2 OUTLIER 62.64 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.42 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.3 mt 55.55 58.22 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.6 m -38.48 98.72 0.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.745 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -123.56 -43.42 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 112.8 81.92 1.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.0 OUTLIER 84.7 76.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 -179.962 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.27 153.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 9' ' ' SER . 7.4 m -67.63 131.35 92.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.669 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 12.44 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 7' ' ' SER . 3.3 m -101.52 -10.25 20.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -83.7 -62.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.893 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.48 -33.96 1.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.6 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mt-30 -68.87 -40.32 79.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' ALA . 38.9 m-20 -71.4 -29.25 64.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.888 HD23 ' HG ' ' B' ' 319' ' ' LEU . 12.1 tp -63.83 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.055 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.79 -31.31 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 20.2 ttm180 -75.77 -21.3 57.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -76.66 -50.7 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.74 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.97 -29.05 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.0 mptm? -52.78 -35.21 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.675 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.23 -172.48 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.675 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.61 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.2 t 85.65 74.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.623 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 172.07 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -95.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLN . 28.8 mt-30 -58.67 -52.96 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -28.35 -62.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.552 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -40.74 -49.43 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -74.61 -31.27 61.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.723 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.6 mt-30 -65.7 -52.55 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -58.94 -54.64 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.14 -34.25 74.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -60.17 -68.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.67 -50.74 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.7 mt -50.76 -29.79 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 15.6 mttt -91.71 -29.55 16.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' ASN . 1.3 t -79.95 -9.79 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.589 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 15.1 m-80 -159.44 109.16 1.5 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.03 -66.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -47.17 -23.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -79.16 -50.32 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.71 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -49.72 -24.96 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.572 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -54.1 -35.06 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -68.71 -60.62 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.689 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.5 t80 -60.9 -54.86 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -42.89 -48.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -61.44 -40.76 95.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.831 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.536 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 3.6 mtm180 -67.74 -50.17 58.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.632 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.02 -27.83 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.73 -8.43 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.677 ' CE ' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -93.79 -35.41 12.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -94.98 -42.24 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.48 -32.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.6 65.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -109.0 -34.84 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.7 pp0? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.699 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.6 OUTLIER -40.7 -59.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' B' ' 316' ' ' LEU . 0.0 OUTLIER -42.31 -42.25 3.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -56.92 -41.73 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.32 -35.39 78.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.841 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -80.01 -27.93 39.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 7.5 mt-10 -63.22 -42.31 99.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -73.97 -47.48 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.949 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -64.06 -49.91 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 316' ' ' LEU . 84.7 t -58.03 -54.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 22.8 t -53.5 -43.36 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.674 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.74 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.6 mt -71.78 -46.53 58.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -52.77 58.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.49 44.3 3.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.674 ' NZ ' ' CZ ' ' B' ' 322' ' ' PHE . 7.5 tppt? -42.28 127.01 3.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.9 -38.85 22.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -24.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -54.24 -27.74 36.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.61 -29.7 59.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 331' ' ' LEU . 0.2 OUTLIER -90.35 -54.14 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.18 52.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.75 -23.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -52.15 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.761 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.4 m-20 -68.78 -15.7 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.419 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 60.1 ttt180 -38.73 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.98 -62.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.677 HD22 ' CE ' ' A' ' 51' ' ' LYS . 7.7 mt -82.66 -28.81 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 339' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 70.94 1.35 39.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.95 ' HB ' HD12 ' B' ' 343' ' ' LEU . 2.6 pp -154.96 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' B' ' 338' ' ' LEU . 12.5 t70 -60.56 -13.9 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -24.66 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.95 HD12 ' HB ' ' B' ' 340' ' ' ILE . 15.0 mt -82.87 -24.71 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' B' ' 340' ' ' ILE . 1.8 m -99.54 -4.24 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -31.82 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.559 ' C ' HD13 ' B' ' 352' ' ' LEU . 4.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.816 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -136.11 22.52 3.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.425 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 37.33 51.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.87 140.84 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER 40.15 76.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.583 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -37.17 97.89 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.542 ' CB ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.98 -25.59 11.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.759 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -87.67 -30.92 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 131.89 -62.99 0.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.652 ' C ' HD22 ' B' ' 361' ' ' LEU . 35.7 t -139.55 91.44 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.8 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.512 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -159.7 151.1 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' SER . 34.8 m -66.05 130.0 94.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 14.35 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' SER . 71.0 p -101.98 -11.63 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.66 -62.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.911 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.44 -33.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.589 ' H ' HD22 ' A' ' 11' ' ' LEU . 44.7 mt-30 -72.26 -40.75 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.3 m-20 -72.1 -29.1 63.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -65.95 -64.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.2 ttm180 -66.24 -28.97 69.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.641 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -71.96 -44.78 63.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.994 HD22 HD21 ' B' ' 323' ' ' LEU . 5.9 mt -56.72 -30.01 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 4.5 mmpt? -52.6 -28.01 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.706 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.3 p -54.72 -170.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.706 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.99 -34.2 4.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.668 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 83.1 86.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.633 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.94 -62.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.04 -96.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.5 mt-30 -61.24 -51.04 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.668 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -30.12 -61.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.575 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.9 pt20 -40.83 -50.46 3.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.565 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.93 -27.93 61.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.641 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.3 mm100 -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -63.79 -53.82 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -59.09 -40.01 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.4 m-20 -53.81 -68.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.07 -55.53 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.7 OUTLIER -42.7 -29.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.3 mttm -85.88 -41.6 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -75.09 -2.88 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB2' HD22 ' A' ' 40' ' ' LEU . 8.8 m-80 -160.91 108.05 1.28 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.5 Cg_endo -74.92 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.512 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -48.03 -29.47 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.65 -35.56 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.659 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.17 -33.67 76.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -57.07 -38.6 73.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.907 ' CD2' HD21 ' A' ' 14' ' ' LEU . 7.8 t80 -54.34 -55.01 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.691 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.19 -42.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.2 mmpt? -62.24 -35.23 78.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.691 ' HG2' HG23 ' B' ' 320' ' ' VAL . 1.1 mm100 -71.59 -41.12 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 1.085 ' NH1' HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -67.47 -50.41 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.666 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.99 -26.94 67.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.15 -9.49 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.789 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.8 tppt? -92.65 -23.83 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.801 ' CZ ' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -108.11 -44.18 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -54.2 -24.77 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.73 9.84 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.5 m-20 -136.53 -46.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.873 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.581 ' O ' HD23 ' B' ' 316' ' ' LEU . 4.5 tt0 -37.36 -60.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.5 OUTLIER -64.14 -28.82 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.873 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -75.29 -32.43 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.04 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.984 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -60.75 -49.51 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -44.99 -41.65 7.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 318' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 16.3 tp60 -67.27 -42.31 84.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.24 -57.95 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.984 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.4 OUTLIER -56.84 -40.69 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 22.3 t -64.39 -41.11 96.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CE1' ' NZ ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -72.22 -30.18 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 1.085 HD13 ' NH1' ' A' ' 48' ' ' ARG . 7.3 mt -67.44 -44.55 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.84 49.72 3.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.531 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.4 OUTLIER -45.65 121.42 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -80.86 -31.4 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.08 -24.4 6.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.504 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.2 m -54.97 -26.47 36.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.41 -44.42 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.61 53.5 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -48.09 -23.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.53 -51.76 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.501 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 73.2 m-20 -66.6 -14.83 62.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.504 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -43.58 -25.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -38.4 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 338' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 355' ' ' LEU . 1.7 mt -96.49 -19.99 18.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.3 -36.63 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.789 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.8 pp -124.36 21.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' B' ' 357' ' ' PRO . 0.7 OUTLIER -52.26 -24.19 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -72.49 -25.5 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.9 mm? -84.7 -26.98 27.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 2.3 t -82.01 -13.4 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 344' ' ' VAL . 22.6 tt0 -31.77 -44.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.961 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.886 HG23 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.545 HD23 ' N ' ' B' ' 352' ' ' LEU . 0.2 OUTLIER 37.65 -103.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.33 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 354' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -43.19 153.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.455 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.3 OUTLIER 39.22 54.56 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.465 HG21 ' H ' ' B' ' 360' ' ' SER . 13.1 m -38.34 109.87 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.653 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.4 Cg_endo -75.0 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.984 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.18 -45.61 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 123.08 89.19 0.9 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.465 ' H ' HG21 ' B' ' 356' ' ' VAL . 1.8 t 79.01 67.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.984 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.2 mp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -151.42 154.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.613 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -53.45 141.94 41.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -73.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLN . 90.5 p -33.55 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -39.04 -41.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.034 HD13 HD13 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -53.11 -48.52 67.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.516 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 3.4 pt20 -57.87 -38.05 75.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.6 -34.97 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' CD1' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -66.71 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.046 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.39 -31.6 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.6 ttm180 -76.03 -29.96 58.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -66.95 -38.46 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -68.26 -31.02 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.2 mttt -52.57 -35.72 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.95 -179.18 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.049 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.29 3.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.7 p 88.5 83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.598 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.78 -61.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.0 -105.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.4 mm100 -60.12 -46.62 89.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.789 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.0 tm0? -34.61 -59.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -44.11 -44.67 7.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.556 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.37 -28.0 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.871 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.8 mt-30 -70.88 -44.09 67.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -62.56 -54.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.07 -34.94 75.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -58.64 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.707 ' CD1' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.39 -56.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.46 -29.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 6.2 mtmt -88.86 -41.21 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m -75.92 -0.34 21.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' HD13 ' A' ' 40' ' ' LEU . 67.0 m-80 -163.56 114.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.0 Cg_endo -75.04 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' CB ' HG13 ' A' ' 6' ' ' ILE . 3.3 tp60 -51.18 -43.05 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -59.8 -53.55 56.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.55 -41.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -58.26 -39.3 78.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.08 -56.28 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.3 t80 -61.22 -55.77 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -44.53 -49.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -68.23 -28.84 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.2 mm-40 -72.26 -38.04 68.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.892 ' NH2' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -80.73 -35.1 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -81.87 -15.69 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.72 -8.76 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.6 tppm? -90.96 -24.81 20.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.96 -49.26 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -44.94 -27.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.01 31.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -72.21 -44.51 62.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.709 ' C ' HD23 ' B' ' 315' ' ' LEU . 5.1 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 312' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' B' ' 311' ' ' ASP . 13.1 tt0 -30.83 -48.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 313' ' ' LYS . . . . . 0.969 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -63.02 -54.55 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 314' ' ' ALA . . . . . 0.969 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -56.75 -33.52 66.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 315' ' ' LEU . . . . . 1.034 HD13 HD13 ' A' ' 11' ' ' LEU . 4.2 mm? -55.2 -57.13 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 316' ' ' LEU . . . . . 0.785 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.01 -54.22 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' B' ' 320' ' ' VAL . 61.6 mm-40 -38.81 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.84 -48.09 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 319' ' ' LEU . . . . . 0.752 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -72.5 -48.97 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 320' ' ' VAL . . . . . 0.785 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.3 m -58.36 -36.91 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 321' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 9.2 t -63.43 -53.77 47.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 322' ' ' PHE . . . . . 0.662 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 323' ' ' LEU . . . . . 0.892 HD22 ' NH2' ' A' ' 48' ' ' ARG . 6.1 mt -69.57 -42.68 74.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.6 m -53.25 -47.63 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -101.21 55.43 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.69 ' HZ1' ' NH2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -43.64 125.3 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.15 -35.84 48.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 328' ' ' GLU . . . . . 0.499 ' HB2' ' HZ2' ' B' ' 342' ' ' LYS . 45.3 mm-40 -45.88 -27.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -32.38 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -31.98 71.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.42 -52.77 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 332' ' ' ALA . . . . . 0.548 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.45 50.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -48.12 -23.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.42 -47.44 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 335' ' ' ASP . . . . . 0.465 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -72.03 -15.29 62.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 336' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -37.17 -31.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 337' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -44.77 -55.36 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.33 -17.5 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.31 -46.85 3.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 340' ' ' ILE . . . . . 0.91 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.0 pp -108.43 21.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.806 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.492 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -59.52 -13.95 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 342' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -87.51 -5.94 58.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 343' ' ' LEU . . . . . 0.91 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.8 mm? -101.12 -47.19 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 344' ' ' VAL . . . . . 0.863 ' O ' HG21 ' B' ' 351' ' ' VAL . 1.6 p -61.22 -12.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.1 pt20 -29.29 -43.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 346' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 351' ' ' VAL . . . . . 0.863 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 352' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -90.91 9.7 29.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 353' ' ' SER . . . . . 0.557 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 33.9 t -81.03 148.27 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -113.71 -17.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER -90.75 22.16 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 356' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.7 m 39.17 90.45 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 357' ' ' PRO . . . . . 0.861 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.742 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -121.98 -68.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 359' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.56 60.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 360' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 93.3 77.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -102.79 -52.54 3.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 138.72 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -58.77 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.511 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -162.77 144.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 128.51 45.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 1.94 7.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m -103.03 -23.18 13.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -72.58 -54.7 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.19 -38.59 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.89 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.4 mm-40 -64.45 -32.98 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.3 m-20 -74.06 -32.54 63.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.01 HD23 ' HG ' ' B' ' 319' ' ' LEU . 10.9 tp -63.56 -62.16 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -32.34 69.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 19.6 ttm-85 -76.04 -20.67 57.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.8 m -75.37 -51.16 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.807 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.5 mm? -48.38 -30.76 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.29 -35.01 49.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.7 -174.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.647 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.01 -35.06 3.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.12 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.641 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.79 -62.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.08 -96.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -60.61 -52.07 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.4 tm0? -29.9 -61.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.526 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -41.26 -48.84 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -73.9 -30.28 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.753 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.2 mm100 -67.12 -52.31 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -59.76 -54.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.53 -35.78 76.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -57.45 -68.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -57.67 -55.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.4 mt -44.18 -29.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.5 mttm -83.26 -47.6 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.01 0.63 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.079 ' CB ' HD12 ' A' ' 40' ' ' LEU . 19.0 m-80 -158.0 107.95 1.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -45.17 -36.84 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.079 HD12 ' CB ' ' A' ' 37' ' ' ASN . 44.1 mt -67.69 -54.14 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.643 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -48.46 -49.21 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.01 -41.31 62.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.62 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -54.5 -54.37 41.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.41 -42.87 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.87 -40.82 94.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -65.84 -45.71 81.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.589 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.2 ttt180 -61.14 -47.31 86.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -72.44 -20.46 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -62.67 -9.07 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.777 ' HG2' HD11 ' B' ' 340' ' ' ILE . 5.6 tptt -93.54 -24.95 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.85 -49.49 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -39.79 -32.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.55 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -61.23 -45.99 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -110.93 97.45 34.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.6 -65.4 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 5.1 t -70.86 164.8 24.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 10.1 t -140.9 36.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 306' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.24 32.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -0.19 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -117.36 12.6 13.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.49 ' CD ' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -137.43 -64.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.5 t-20 61.2 134.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.748 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.4 OUTLIER 156.31 167.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' B' ' 313' ' ' LYS . 6.8 tt0 -39.27 -59.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.803 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.87 -35.29 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.803 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.82 -33.57 75.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.532 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.4 mm? -64.33 -60.98 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.4 pp -61.69 -28.29 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.622 ' HA ' HG12 ' B' ' 320' ' ' VAL . 34.1 mm-40 -71.51 -28.17 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -73.45 -48.29 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 1.046 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -67.95 -49.07 63.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 1.046 ' N ' HD13 ' B' ' 319' ' ' LEU . 2.8 p -58.31 -41.71 81.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 7.4 t -59.15 -47.62 84.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -30.44 71.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.807 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.4 mt -64.15 -49.51 71.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -43.93 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.43 50.57 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.448 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.49 115.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 1.7 m-20 -84.19 -25.21 29.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.93 -20.14 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.611 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.3 OUTLIER -51.09 -31.45 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.9 OUTLIER -62.72 -39.22 93.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -47.81 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.43 51.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.17 -21.88 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.36 -52.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.535 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 15.1 m-20 -68.09 -16.29 63.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.611 ' CG ' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -43.24 -27.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -40.49 -62.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.94 HD23 ' OD1' ' B' ' 341' ' ' ASP . 4.0 mm? -95.0 -19.31 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.59 -34.79 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.777 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.9 pp -127.85 15.14 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.94 ' OD1' HD23 ' B' ' 338' ' ' LEU . 0.2 OUTLIER -54.91 -19.69 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.579 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -75.89 -14.9 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' B' ' 340' ' ' ILE . 4.0 mp -88.96 -47.69 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.696 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.3 p -67.75 -9.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.522 ' C ' ' O ' ' B' ' 344' ' ' VAL . 44.3 tt0 -28.96 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 147.17 -81.83 0.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.82 -42.62 3.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -99.52 -88.74 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.48 32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.461 ' C ' HG22 ' B' ' 351' ' ' VAL . 0.5 OUTLIER 162.87 170.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.696 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -156.01 -79.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.886 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -144.38 -92.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.7 OUTLIER 154.94 48.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.454 ' HB2' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -133.1 109.3 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.734 HD13 HD21 ' B' ' 338' ' ' LEU . 0.4 OUTLIER 55.1 93.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.6 m -34.55 95.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.695 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.67 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.46 -41.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.02 -53.17 0.55 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.564 ' C ' HD22 ' B' ' 361' ' ' LEU . 9.9 t -147.06 86.59 1.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.803 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -159.36 -54.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 6' ' ' ILE . 3.7 mmt180 -124.9 91.72 3.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OE1' ' A' ' 39' ' ' GLN . 37.1 m 67.45 -71.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 176.41 144.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.05 135.9 87.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.07 4.18 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -101.55 -23.4 14.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -72.34 -56.42 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.23 -40.62 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.93 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.6 mt-30 -63.98 -34.92 79.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ALA . 28.8 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD11 ' CD2' ' A' ' 44' ' ' PHE . 3.2 tp -66.09 -69.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -51.06 -39.15 55.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.786 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -62.51 -31.22 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.006 HD22 HD21 ' B' ' 323' ' ' LEU . 5.3 mt -72.53 -29.25 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' B' ' 322' ' ' PHE . 31.8 mmtt -53.08 -25.7 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.648 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.39 -173.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 -36.59 2.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.631 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.8 m 87.68 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.606 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 157.33 -61.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -98.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -61.92 -49.69 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.5 tm0? -30.75 -60.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.576 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -41.65 -51.07 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.612 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -72.85 -25.92 61.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.786 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.3 mm100 -67.96 -52.42 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.38 -51.63 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.14 -40.18 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.85 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.34 -53.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.29 -28.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 33' ' ' ILE . 15.3 mttm -87.4 -35.98 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' ILE . 73.0 m -85.67 1.85 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -163.41 105.01 0.97 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.67 -32.29 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 6' ' ' ILE . 4.2 mm? -77.43 -49.7 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.93 -52.29 25.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.68 -41.85 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.9 -60.59 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.8 t80 -57.42 -55.49 34.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.683 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.05 -34.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -74.57 -34.97 63.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.702 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.58 -45.28 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -70.44 -38.77 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.721 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -76.27 -20.76 57.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.4 -9.86 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.75 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.1 tppm? -89.02 -25.32 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.51 -51.49 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.05 -32.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.08 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.6 m-20 -63.27 -45.24 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -112.49 95.11 30.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.62 42.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.51 -55.4 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.593 ' O ' HG22 ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.593 HG22 ' O ' ' B' ' 303' ' ' PRO . 15.3 t 45.76 -160.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.467 ' O ' HG13 ' B' ' 306' ' ' VAL . 14.5 t -168.44 30.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.596 HG12 ' HD3' ' B' ' 309' ' ' ARG . 0.5 OUTLIER -153.81 36.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -1.15 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -116.97 14.39 13.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.596 ' HD3' HG12 ' B' ' 306' ' ' VAL . 1.7 mpt_? -138.43 -64.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.9 t30 61.49 137.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.775 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 m-20 155.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -56.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.726 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.29 -35.56 79.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.775 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.64 -34.21 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.71 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -64.77 -61.71 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -59.0 -31.63 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.43 -33.13 74.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -67.17 -46.57 73.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 1.033 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.35 -35.53 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.2 t -62.06 -54.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -45.69 90.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.436 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 4.2 t80 -57.98 -32.04 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 1.006 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -72.54 -44.51 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -40.04 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -102.51 43.53 1.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.709 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.7 OUTLIER -41.25 121.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 2.2 m-20 -73.87 -43.88 57.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.438 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.9 OUTLIER -46.6 -24.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 15.7 m -54.78 -47.79 73.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.2 OUTLIER -54.19 -29.77 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 -51.65 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.12 53.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.537 ' HB2' HH21 ' B' ' 336' ' ' ARG . 8.1 pt-20 -47.31 -22.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -77.88 -52.42 8.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -71.02 -15.69 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' B' ' 333' ' ' GLU . 0.4 OUTLIER -37.88 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.58 -51.06 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.931 HD12 ' OD2' ' B' ' 341' ' ' ASP . 37.0 mt -107.67 -14.24 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.87 -54.92 2.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.744 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.8 pp -96.7 19.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.931 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -52.73 -27.35 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.73 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -70.59 -25.47 63.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.5 mm? -77.91 -51.64 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.771 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.9 p -67.68 -11.96 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 344' ' ' VAL . 2.1 tt0 -34.66 -43.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 159.94 135.29 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -112.49 -84.6 1.39 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -113.56 -70.16 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.52 -89.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.457 ' O ' HG13 ' B' ' 351' ' ' VAL . 14.4 p-10 -136.88 -155.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -157.61 105.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' B' ' 344' ' ' VAL . 0.1 OUTLIER 39.75 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 155.36 -47.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.0 126.48 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.71 75.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.683 HG21 ' O ' ' B' ' 359' ' ' GLY . 2.7 m -43.11 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.771 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.0 3.62 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' B' ' 361' ' ' LEU . 22.5 ttt-85 -125.44 -46.17 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.683 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 163.98 -62.88 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.471 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -131.46 -53.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.789 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 62.77 137.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -46.4 163.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -62.87 -47.99 80.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.501 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -170.58 159.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.501 ' H ' HD13 ' A' ' 6' ' ' ILE . 48.0 m -63.68 138.07 97.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.0 Cg_endo -75.07 -65.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' GLN . 3.4 m -37.19 -39.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.4 -29.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' B' ' 315' ' ' LEU . 0.1 OUTLIER -66.18 -50.75 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -60.12 -30.47 69.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -73.26 -43.86 60.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 40' ' ' LEU . 3.9 tt -59.78 -59.73 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -30.22 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 6.0 ttt180 -75.16 -21.38 58.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.742 HG23 ' CB ' ' A' ' 29' ' ' GLN . 13.7 m -76.59 -52.87 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.747 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.4 mm? -47.88 -26.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mptp? -55.95 -36.96 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.589 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.27 -177.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -38.52 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 m 91.59 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.593 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.12 -60.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -102.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.94 -49.58 75.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.685 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -32.99 -60.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.37 -48.83 3.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.78 -27.96 61.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.742 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.5 mm100 -68.87 -51.55 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.07 -53.18 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.42 -32.29 73.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -59.21 -66.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.32 -42.29 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -57.26 -27.14 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 9.6 mtmt -90.65 -36.55 14.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -73.87 -12.75 60.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 12.2 m-80 -153.34 105.99 2.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.2 tp-100 -58.06 -34.31 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -72.26 -48.97 38.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.08 -23.72 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.563 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.98 -40.26 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' CG2' ' B' ' 320' ' ' VAL . . . -67.59 -54.79 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.5 t80 -56.14 -55.91 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.05 -35.82 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.3 mmpt? -75.78 -33.22 60.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HB3' HD13 ' B' ' 323' ' ' LEU . 2.7 mm-40 -72.52 -46.69 53.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.6 -37.67 79.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.703 HG22 ' HA ' ' A' ' 46' ' ' LYS . 6.6 t -78.99 -21.57 46.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.18 -9.16 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' B' ' 340' ' ' ILE . 16.4 tppt? -89.7 -26.21 20.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.913 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.37 -52.89 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.27 -31.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -75.23 -57.12 4.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.4 m-20 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -113.61 92.84 25.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.58 33.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -52.18 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' B' ' 304' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.811 ' O ' HG23 ' B' ' 305' ' ' THR . 15.3 t 37.34 -153.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.811 HG23 ' O ' ' B' ' 304' ' ' THR . 0.7 OUTLIER -164.02 40.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 305' ' ' THR . 27.1 m -157.75 38.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -10.75 56.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -104.16 19.29 43.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' B' ' 306' ' ' VAL . 1.2 mpt_? -143.6 -60.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.522 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 4.6 t30 60.99 139.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.755 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 t70 154.23 166.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.55 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.1 tt0 -38.04 -56.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.751 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.29 -36.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.755 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.84 -32.35 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.578 ' HA ' HD13 ' A' ' 11' ' ' LEU . 10.9 mp -65.44 -62.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.796 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.33 -30.51 66.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.42 -34.98 76.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.66 -49.73 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.862 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -73.08 -42.48 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.862 ' N ' HD13 ' B' ' 319' ' ' LEU . 21.1 t -53.23 -54.27 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.99 77.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -58.41 -31.51 67.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.747 HD21 ' HG ' ' A' ' 18' ' ' LEU . 4.6 mt -69.05 -45.79 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -53.37 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.79 49.25 3.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.559 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.0 OUTLIER -41.5 126.51 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 -35.5 43.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -47.3 -28.85 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.67 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.53 -32.38 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -58.34 -53.92 52.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 13.4 tp -78.66 -42.44 28.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.63 51.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 5.8 pt-20 -56.59 -21.71 28.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 334' ' ' LEU . 1.7 tm? -83.43 -45.45 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.748 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.4 m-20 -72.44 -15.15 61.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.67 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -41.43 -27.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -37.77 -61.14 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' B' ' 341' ' ' ASP . 5.8 mp -96.96 -18.98 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.88 -45.81 3.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.735 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -109.91 23.1 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.594 ' CG ' HD13 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -52.48 -33.01 42.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.913 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -64.36 -21.07 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -81.37 -45.97 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.657 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -79.65 -4.55 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.532 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.9 tt0 -35.13 -46.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 156.56 99.51 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.4 23.89 28.98 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 85.65 85.81 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.42 70.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.435 ' C ' HG12 ' B' ' 351' ' ' VAL . 5.8 m-20 -174.49 71.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.435 HG12 ' C ' ' B' ' 350' ' ' ASP . 0.1 OUTLIER -168.13 114.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.913 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -48.7 -23.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.546 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.9 OUTLIER 54.72 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -53.31 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.3 mp -124.44 47.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.9 m 29.12 92.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.657 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 3.61 5.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.777 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -127.89 -67.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.543 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 152.01 71.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.9 t 85.46 78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.777 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -139.39 160.74 39.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -47.01 -62.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.58 -71.13 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.4 144.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m -68.48 149.91 97.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.623 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -67.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.5 m -33.79 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.717 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.48 -58.43 8.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.068 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.94 -31.28 28.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.24 -33.05 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.02 -33.25 61.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.055 HD12 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -66.09 -65.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.06 -34.09 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 18.4 ttt180 -73.5 -28.47 61.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -68.33 -46.16 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -53.94 -19.82 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 16.2 mmtm -63.34 -35.23 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.32 -178.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -34.8 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.8 p 89.49 84.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.6 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.99 -61.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.987 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.92 -102.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.6 mm-40 -61.14 -50.97 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tm0? -32.59 -60.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.522 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -42.31 -48.2 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.522 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -73.25 -27.19 61.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.705 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.3 mt-30 -68.5 -52.25 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.889 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.94 -52.0 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -32.23 73.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -60.18 -61.8 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -64.35 -62.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -38.39 -33.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 13.3 mttm -66.58 -53.43 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.2 m -94.18 16.82 13.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.717 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 9.5 m-80 -134.58 87.25 32.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -50.02 -21.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.055 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -82.86 -46.47 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 13.6 ttt -59.18 -26.91 65.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.59 -42.21 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -60.94 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' HB2' HD11 ' A' ' 14' ' ' LEU . 1.2 t80 -53.49 -57.54 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.617 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.65 -37.22 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.4 mmpt? -72.59 -34.07 67.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.34 -46.82 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 ptm180 -69.5 -44.47 71.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.4 t -71.78 -23.0 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -63.04 -9.86 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' B' ' 340' ' ' ILE . 9.7 tppt? -90.23 -25.89 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.864 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.46 -52.44 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.32 -33.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -65.19 -55.57 17.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.0 m120 -68.46 -37.36 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.6 pp0? -113.73 95.03 35.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -170.46 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.34 54.57 0.39 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 111.023 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.426 HG23 ' N ' ' B' ' 305' ' ' THR . 5.2 t -65.73 -49.87 66.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' B' ' 306' ' ' VAL . 0.2 OUTLIER 59.4 79.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 309' ' ' ARG . 0.9 OUTLIER 167.87 -23.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -39.47 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -75.38 -2.52 68.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -120.92 -67.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.7 t30 61.47 130.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.613 ' C ' HD13 ' B' ' 315' ' ' LEU . 0.5 OUTLIER 154.71 158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.566 ' O ' HD23 ' B' ' 316' ' ' LEU . 0.9 OUTLIER -38.86 -53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.327 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.917 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.49 -33.79 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -73.61 -27.3 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.613 HD13 ' C ' ' B' ' 311' ' ' ASP . 11.0 mp -65.88 -61.39 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -63.73 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.4 mm-40 -63.76 -37.79 88.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.26 -50.0 69.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.861 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.13 -33.72 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 316' ' ' LEU . 25.3 t -64.05 -54.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -43.15 71.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -66.75 -32.37 73.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.0 mt -68.97 -45.22 71.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -54.1 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.68 53.77 4.57 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.655 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.2 tppp? -45.69 117.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.98 56.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.47 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 15.5 tp10 -50.41 -31.73 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 29.0 m -54.98 -29.92 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -56.37 -53.6 55.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.72 -50.11 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.31 52.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.87 -23.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.487 ' C ' HD13 ' B' ' 334' ' ' LEU . 1.8 tm? -77.32 -52.14 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.618 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 0.6 OUTLIER -65.23 -16.47 63.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -44.4 -26.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -39.64 -61.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -94.7 -17.31 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 80.81 -49.88 4.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -108.07 20.05 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.517 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.08 -27.75 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.729 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -71.91 -20.22 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.6 mm? -84.83 -47.84 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.857 ' O ' HG11 ' B' ' 351' ' ' VAL . 5.8 p -73.75 -3.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.497 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -40.11 -42.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 159.41 135.32 1.83 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -106.94 -118.98 4.43 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -98.09 -60.87 0.91 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -71.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.88 -160.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.857 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -136.28 -105.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.864 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.86 -3.58 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.42 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.1 OUTLIER 64.04 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -38.88 155.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.4 mt 41.39 63.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.2 m -37.53 98.25 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.827 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.97 4.93 4.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 40.0 ttt180 -121.94 -45.88 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 146.88 -36.22 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.8 t -169.49 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.787 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.959 -0.439 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -167.43 158.52 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 147.88 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 39.6 -148.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -176.51 154.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 m -60.43 140.57 91.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -53.66 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -38.42 -40.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -42.97 -31.1 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.714 HD13 HD12 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -62.28 -47.32 84.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.504 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.0 -32.66 73.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.54 -34.26 62.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.824 HD12 ' HG ' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -69.1 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.036 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.86 -36.48 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -71.91 -35.9 69.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.2 m -59.32 -37.97 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 HD21 ' B' ' 323' ' ' LEU . 2.3 mt -72.05 -30.92 65.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE2' HD21 ' A' ' 15' ' ' LEU . 2.3 mptp? -51.68 -23.83 4.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.601 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -62.6 -176.76 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.07 -34.92 3.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 t 89.15 84.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.61 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.98 -101.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.43 1.753 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' GLN . 15.6 mt-30 -60.78 -50.72 72.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -32.01 -59.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -42.31 -50.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -72.26 -26.02 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.83 -52.53 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.716 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.58 -51.6 69.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.4 -31.7 72.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.3 m-20 -61.76 -68.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -55.41 -46.96 78.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -53.68 -28.46 33.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -89.53 -50.48 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 24.1 m -74.39 0.56 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.723 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.2 m-80 -157.34 108.05 1.86 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -50.43 -40.11 49.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 37' ' ' ASN . 3.4 mm? -60.73 -53.53 56.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -50.98 -42.92 60.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.589 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.7 -48.93 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.788 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.7 t80 -54.54 -58.86 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.645 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -45.51 -38.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.2 mmpt? -66.28 -39.6 89.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' PHE . 15.3 mm-40 -67.55 -43.96 79.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.583 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -65.19 -44.7 87.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.636 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -68.79 -27.16 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -11.56 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.862 ' HD2' HD23 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -89.7 -28.59 19.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.827 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -101.76 -46.62 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -52.58 -26.4 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.525 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . -89.37 22.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 54' ' ' ALA . 19.9 m120 -149.92 -48.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -86.12 123.89 71.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.36 6.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.4 -66.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.484 ' HB ' ' NE2' ' B' ' 318' ' ' GLN . 1.8 t -134.06 -177.95 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.439 HG22 ' CG2' ' B' ' 306' ' ' VAL . 19.5 m -160.85 -70.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' B' ' 305' ' ' THR . 1.7 t -112.27 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.625 ' O ' HD13 ' B' ' 315' ' ' LEU . 2.0 pp20? -126.41 -51.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' B' ' 307' ' ' GLU . . . -108.57 31.51 7.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -118.73 -35.67 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.496 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -95.12 -77.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 4.9 t70 -177.97 -151.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' B' ' 316' ' ' LEU . 32.5 tt0 -57.1 -52.37 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.82 -33.82 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -64.0 -38.06 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.714 HD12 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -62.61 -60.51 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -56.97 -28.93 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.438 ' HG3' ' HZ2' ' B' ' 313' ' ' LYS . 5.1 mm-40 -68.25 -36.55 79.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.484 ' NE2' ' HB ' ' B' ' 304' ' ' THR . 2.6 tt0 -62.34 -48.76 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.863 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -72.09 -41.31 67.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.863 ' N ' HD13 ' B' ' 319' ' ' LEU . 25.3 t -56.47 -53.72 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -51.87 65.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.664 ' HE1' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -56.89 -31.89 65.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.816 HD21 HD22 ' A' ' 18' ' ' LEU . 5.4 mt -67.28 -44.49 79.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -54.16 36.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.69 45.7 2.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.766 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 4.3 tppp? -41.93 125.66 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -39.39 71.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.16 -23.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 32.4 m -66.37 -28.19 68.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.58 -38.01 80.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.79 -50.38 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.28 51.74 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -47.6 -23.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -52.32 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.703 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.6 m-20 -68.33 -16.03 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 66.8 ttt-85 -39.53 -28.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.533 ' HB3' HD12 ' B' ' 338' ' ' LEU . . . -48.0 -48.17 32.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.862 HD23 ' HD2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -88.55 -30.61 19.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.532 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.65 -4.02 23.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 51' ' ' LYS . 2.4 pp -156.41 21.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' B' ' 338' ' ' LEU . 5.7 t70 -54.98 -19.4 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -25.91 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.766 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 10.1 mt -84.04 -32.03 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.936 HG11 HD21 ' B' ' 352' ' ' LEU . 1.9 t -76.1 -14.92 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -30.91 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 150.91 148.19 4.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 347' ' ' GLY . . . . . 0.426 ' O ' ' NH2' ' A' ' 48' ' ' ARG . . . 138.36 158.24 7.69 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.92 3.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.02 -50.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -174.5 -169.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.628 HG23 ' N ' ' B' ' 352' ' ' LEU . 32.3 m -117.23 -132.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.936 HD21 HG11 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -123.1 -38.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 92.92 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.41 -70.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' B' ' 357' ' ' PRO . 13.5 mt -98.2 70.14 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.624 HG12 HD23 ' B' ' 361' ' ' LEU . 4.4 m -35.8 97.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.48 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.01 1.74 7.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.815 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.81 -42.64 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 116.26 78.22 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.509 ' C ' HD22 ' B' ' 361' ' ' LEU . 4.4 p 83.08 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -136.21 114.67 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.98 122.88 6.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m 59.49 -176.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.755 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 173.92 140.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -67.72 148.42 98.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.633 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 9.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -101.63 -10.36 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.35 -63.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.835 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.84 -31.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.59 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.0 mt-30 -75.35 -41.17 57.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.43 -68.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.75 -33.12 21.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 7.6 ttm180 -75.62 -28.7 58.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.798 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -68.25 -40.29 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.82 ' CD1' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -63.38 -30.89 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -51.27 -34.14 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.623 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.5 -175.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -35.39 3.16 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.779 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.605 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.1 m 88.74 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.634 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.23 -62.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.99 -95.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 31.1 mt-30 -59.67 -52.69 64.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -30.16 -60.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -41.65 -49.57 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.542 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -73.28 -27.63 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.798 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.8 mm100 -69.57 -53.82 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -57.02 -52.84 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.11 -69.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.765 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.86 -60.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.485 HD13 HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -39.0 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 mtmp? -86.61 -53.36 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.8 m -77.11 -0.38 24.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 33' ' ' ILE . 7.1 m120 -142.65 98.91 5.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -29.06 8.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -77.71 -45.5 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' CD2' HG21 ' A' ' 6' ' ' ILE . 3.8 mm? -60.87 -50.85 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.502 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 ptt? -48.52 -41.84 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -61.39 -46.44 90.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.97 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.6 t80 -58.65 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.1 -37.87 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.6 mmpt? -66.58 -40.67 89.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.734 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.9 OUTLIER -74.98 -23.81 58.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.519 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.24 -33.79 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t -87.67 -15.37 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -9.46 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.645 ' CB ' HD11 ' B' ' 340' ' ' ILE . 1.0 OUTLIER -88.93 -25.24 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -109.01 -51.82 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.99 -32.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 1.2 m-20 -63.25 -46.61 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.1 pp0? -110.68 97.77 34.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 82.61 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.94 75.07 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.554 ' O ' HG22 ' B' ' 305' ' ' THR . 0.7 OUTLIER -92.17 -38.51 12.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.729 HG23 HG13 ' B' ' 306' ' ' VAL . 5.4 t 45.22 -169.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.844 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 30.1 m 46.92 24.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' B' ' 305' ' ' THR . 1.0 OUTLIER -91.85 -17.0 25.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -107.98 -8.56 29.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.447 ' NE ' ' OD1' ' B' ' 311' ' ' ASP . 0.0 OUTLIER -107.95 -59.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.547 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.5 t-20 60.9 139.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.635 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 151.59 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.653 ' O ' HD23 ' B' ' 316' ' ' LEU . 22.9 tt0 -40.0 -55.14 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.976 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -61.27 -33.07 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.976 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -72.29 -30.44 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -65.2 -62.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 3.7 mm-40 -65.53 -34.88 79.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -66.1 -47.88 72.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -72.09 -33.88 68.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.4 t -64.07 -54.39 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -38.26 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -70.97 -31.7 68.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.82 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.2 mt -70.45 -44.31 68.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -50.16 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.44 52.0 2.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.614 ' HZ3' HD12 ' A' ' 18' ' ' LEU . 2.6 tppp? -41.0 118.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.94 83.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.5 -30.76 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.543 HG23 ' HA ' ' B' ' 336' ' ' ARG . 55.1 m -51.37 -38.1 51.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.66 -46.59 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.1 tt -74.3 -44.76 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.46 51.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.0 -23.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.2 OUTLIER -80.54 -47.81 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.729 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 30.3 m-20 -70.33 -14.97 62.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.8 OUTLIER -34.46 -36.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.58 -62.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.467 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -99.23 -16.32 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.47 ' O ' ' CE ' ' B' ' 342' ' ' LYS . . . 69.33 -52.03 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.645 HD11 ' CB ' ' A' ' 51' ' ' LYS . 2.5 pp -97.76 20.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.544 ' HA ' HG12 ' B' ' 344' ' ' VAL . 3.0 t0 -52.53 -19.19 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -77.18 -27.77 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.38 -45.76 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.806 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.4 p -73.25 -4.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 3.6 tt0 -41.4 -46.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.491 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 147.89 -98.9 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.18 11.9 74.82 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 348' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' B' ' 349' ' ' LEU . . . 158.82 -69.98 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' B' ' 348' ' ' GLY . 0.2 OUTLIER 165.17 78.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -156.25 52.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.491 ' CG1' ' HA2' ' B' ' 346' ' ' GLY . 0.7 OUTLIER -131.49 168.86 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.86 52.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.442 ' N ' HG23 ' B' ' 351' ' ' VAL . 20.6 m 37.4 -99.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER 42.24 -162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER -41.32 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.5 m -35.23 96.49 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.806 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.09 4.08 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.8 ' CB ' HD11 ' B' ' 361' ' ' LEU . 5.6 ttp85 -123.89 -41.67 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 139.67 -42.41 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.479 ' C ' HD22 ' B' ' 361' ' ' LEU . 6.1 t -158.93 88.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.816 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 6.8 t30 80.86 -56.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.67 139.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -44.51 -86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.782 HD11 ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -173.42 148.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -70.25 140.84 88.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.917 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -18.79 18.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -82.76 -39.91 21.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 37' ' ' ASN . . . -51.09 -60.66 2.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.935 HD13 HD12 ' B' ' 315' ' ' LEU . 0.7 OUTLIER -42.54 -53.19 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 11' ' ' LEU . 26.7 mt-30 -55.5 -44.91 77.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 2.3 m-20 -59.74 -32.71 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.969 HD22 ' HG ' ' B' ' 319' ' ' LEU . 7.0 tt -69.16 -59.46 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' B' ' 322' ' ' PHE . 1.5 tm? -53.39 -39.04 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.19 -24.95 57.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.07 -31.31 65.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.952 HD22 HD21 ' B' ' 323' ' ' LEU . 3.8 mt -75.75 -23.41 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.49 -21.51 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.628 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -58.6 -175.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -34.23 4.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.527 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.0 t 86.82 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.627 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.02 -62.16 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.627 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.3 mt-30 -60.66 -51.94 67.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.65 ' O ' HG13 ' A' ' 30' ' ' VAL . 9.2 tm0? -30.77 -60.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -43.72 -50.73 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.2 mt-30 -71.61 -24.02 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.764 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.8 mt-30 -70.21 -50.62 38.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.39 -51.5 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -64.33 -33.3 75.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.5 m-20 -58.65 -59.32 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.54 -60.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -35.69 -34.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.8 mttm -64.74 -53.51 46.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' ILE . 43.1 m -100.58 23.69 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.6 m-80 -128.53 90.09 47.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.782 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.5 Cg_endo -74.98 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' CB ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -70.96 -19.85 62.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.635 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -85.07 -55.23 4.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.562 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -49.13 -49.09 43.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.38 -41.69 66.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.19 -60.59 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.705 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.4 t80 -54.98 -56.27 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.38 -43.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.44 -33.54 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.6 mm100 -68.63 -39.02 80.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.629 HH21 ' CG1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -72.14 -46.23 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 t -67.33 -26.76 66.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.77 -11.26 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.748 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.6 OUTLIER -89.87 -26.46 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.12 -36.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -62.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.31 -51.63 66.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -108.84 100.3 38.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.39 -62.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.688 HG23 ' N ' ' B' ' 305' ' ' THR . 0.7 OUTLIER -134.99 -167.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.688 ' N ' HG23 ' B' ' 304' ' ' THR . 9.1 t -149.13 -172.63 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.621 HG13 HG23 ' B' ' 305' ' ' THR . 11.1 m 41.99 28.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' B' ' 305' ' ' THR . 11.0 pt-20 -68.04 -45.71 73.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -82.19 9.82 56.14 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.935 ' HE ' ' HZ3' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -120.54 -66.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.8 t30 61.26 144.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.811 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.9 m-20 151.02 164.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.8 OUTLIER -38.49 -56.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.935 ' HZ3' ' HE ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -64.1 -31.79 73.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.811 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -69.3 -33.21 72.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.935 HD12 HD13 ' A' ' 11' ' ' LEU . 4.4 mm? -64.82 -61.65 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.829 ' O ' HG23 ' B' ' 320' ' ' VAL . 1.6 pp -59.47 -31.73 69.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -68.24 -32.78 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 1.8 tt0 -66.82 -44.48 81.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.969 ' HG ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.45 -39.84 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 316' ' ' LEU . 41.9 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.86 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.685 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -57.88 -29.64 65.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.952 HD21 HD22 ' A' ' 18' ' ' LEU . 5.8 mt -71.01 -46.24 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.13 -52.41 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.21 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.093 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.784 ' NZ ' HD23 ' B' ' 323' ' ' LEU . 7.1 tppt? -45.57 129.26 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -24.64 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.15 -25.6 33.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.608 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.92 -41.09 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.77 -64.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.42 -45.96 90.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.41 50.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 7.9 pt-20 -54.79 -22.15 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -37.23 24.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.818 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 9.4 m-20 -76.49 -16.25 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.608 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.5 mtm180 -39.15 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.02 -53.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 51' ' ' LYS . 3.8 mm? -110.2 -10.2 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.36 -53.85 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.748 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -114.66 21.46 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 1.1 t0 -46.94 -41.84 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.623 ' CD ' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -52.62 -32.78 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.723 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.54 -27.74 45.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.855 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.2 t -85.35 -10.04 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 12.4 pt20 -36.45 -43.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 179.56 -80.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' GLY . . . . . 0.458 ' C ' HD21 ' A' ' 31' ' ' LEU . . . 71.31 45.91 45.16 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 111.63 31.19 2.82 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 4.8 tt 56.59 78.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.39 112.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.835 HG23 ' H ' ' B' ' 353' ' ' SER . 19.6 m -139.5 -136.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.638 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -132.75 25.78 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.835 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.5 t 36.6 39.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.19 144.0 29.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER 40.1 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.655 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.1 m -37.21 97.75 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.469 ' HB2' ' N ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -75.03 -10.85 21.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.739 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -111.13 -31.41 7.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.655 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 147.21 -70.52 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.504 ' C ' HD22 ' B' ' 361' ' ' LEU . 1.4 t -119.85 -64.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.739 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.11 165.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -68.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -99.27 -71.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.72 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 171.72 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.58 ' N ' HG23 ' A' ' 6' ' ' ILE . 69.6 m -92.94 136.41 24.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.831 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -89.27 -35.84 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' OD1' ' A' ' 37' ' ' ASN . . . -53.19 -57.56 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.029 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -39.15 -49.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -45.57 77.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.3 m-20 -67.2 -28.61 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.019 ' HB3' HD22 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -62.28 -72.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -32.77 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -72.24 -24.37 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -78.46 -41.83 31.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.2 mm? -62.16 -18.33 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' SER . 32.1 mttt -65.61 -34.38 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.57 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.97 -177.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.98 -34.58 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.757 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 m 88.35 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 164.15 -61.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -104.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' GLN . 11.5 mt-30 -59.69 -48.84 80.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -33.32 -59.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.4 pt20 -42.67 -48.77 5.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.1 mt-30 -73.64 -26.04 60.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.766 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.6 mt-30 -71.4 -53.03 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.69 -50.45 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.55 -30.97 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.6 m-20 -60.67 -51.32 69.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.53 -41.02 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.5 OUTLIER -60.36 -29.7 69.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.7 ptpt -88.11 -33.2 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -88.82 -1.66 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.9 m-80 -155.41 108.64 2.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB3' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.87 -39.96 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD23 HD12 ' A' ' 6' ' ' ILE . 4.5 mm? -65.98 -50.31 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.633 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -50.95 -38.56 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.7 -45.27 73.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.94 -57.02 6.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 18' ' ' LEU . 5.3 t80 -54.57 -55.54 28.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.48 -39.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.916 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.5 mp0 -74.94 -15.97 60.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.1 ttm180 -91.75 -26.56 18.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 11.3 t -95.61 -15.66 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.4 -13.86 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.04 ' CE ' HD13 ' B' ' 338' ' ' LEU . 6.7 tmtt? -87.55 -27.74 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.78 -45.67 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -54.37 -16.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -106.45 24.2 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.573 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 29.8 p30 -164.55 21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' A' ' 53' ' ' VAL . 12.8 pt20 -131.93 118.88 16.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 81.4 2.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . . . -45.29 -65.03 2.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' GLY . 3.9 mtm . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.546 ' O ' HG22 ' B' ' 305' ' ' THR . 1.0 OUTLIER -78.29 -35.2 48.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.735 HG23 HG13 ' B' ' 306' ' ' VAL . 5.5 t 44.98 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.92 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 28.5 m 46.74 24.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' B' ' 308' ' ' GLY . 9.3 pt-20 -83.68 -37.89 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' B' ' 307' ' ' GLU . . . -93.8 3.98 71.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.438 ' HD2' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -117.01 -68.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.0 t30 61.66 131.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER 156.88 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.594 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.3 tt0 -39.16 -54.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.955 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.93 -34.6 77.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.955 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.36 -31.95 69.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 1.029 HD12 HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -64.24 -61.15 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.768 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -58.97 -31.96 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 11.3 mm-40 -68.92 -31.75 70.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -67.17 -46.93 72.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -76.3 -31.21 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.916 HG13 ' CD ' ' A' ' 47' ' ' GLN . 8.8 t -65.16 -55.86 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -42.82 99.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.4 OUTLIER -62.1 -31.59 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.657 HD21 HD12 ' A' ' 18' ' ' LEU . 4.7 mt -71.72 -42.23 67.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.07 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.58 53.25 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.492 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.68 113.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 7.3 m-20 -77.48 -26.31 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 7.5 tp10 -55.25 -18.57 6.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -37.85 72.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -54.75 -34.26 62.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 332' ' ' ALA . 1.9 tt -90.44 -54.49 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.529 ' HB1' ' OD2' ' B' ' 335' ' ' ASP . . . -79.77 53.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.22 -22.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.98 -52.45 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.529 ' OD2' ' HB1' ' B' ' 332' ' ' ALA . 45.0 m-20 -68.99 -16.87 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.26 -56.34 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 1.04 HD13 ' CE ' ' A' ' 51' ' ' LYS . 13.0 mt -109.07 -9.65 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.43 -59.23 3.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.8 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.4 pp -92.06 9.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.791 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.5 OUTLIER -53.84 -19.68 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -82.12 -18.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -85.27 -45.75 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 1.045 ' O ' HG11 ' B' ' 351' ' ' VAL . 3.5 p -71.68 -7.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -30.14 -47.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 179.0 143.79 5.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 133.55 98.29 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 114.74 81.71 1.0 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.81 72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.431 ' C ' ' CG2' ' B' ' 351' ' ' VAL . 2.7 m-20 40.3 47.45 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 1.045 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER 39.65 -101.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -133.22 3.61 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.452 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.5 OUTLIER 61.92 -71.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.7 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.1 mm? 44.46 65.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.4 m -37.25 97.69 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.857 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.96 5.51 3.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.57 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.3 tmt_? -134.64 -67.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.18 66.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 89.78 76.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.671 HD22 ' N ' ' B' ' 361' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -153.05 86.98 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -179.07 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -88.78 14.7 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 78.37 170.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 6' ' ' ILE . 11.1 m -92.65 135.71 26.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 1.122 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 4.01 5.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -102.67 -11.36 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -76.88 -57.15 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.13 -28.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.743 ' H ' HD22 ' A' ' 11' ' ' LEU . 11.4 mt-30 -71.41 -39.85 70.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . 57.9 m-20 -73.8 -27.95 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.97 -68.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -33.1 62.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.5 ttm180 -74.18 -24.93 59.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.817 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -72.57 -39.07 67.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.751 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.3 mm? -64.64 -27.89 69.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.8 mptm? -53.65 -36.46 62.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.49 -178.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -33.32 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 t 87.98 83.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.94 -61.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.99 -100.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' GLN . 5.0 mt-30 -61.58 -51.34 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.677 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.69 -60.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -42.01 -49.98 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.73 -26.21 61.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.817 ' CB ' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.96 -51.06 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -60.42 -52.6 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.91 -35.94 77.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.9 m-20 -58.83 -69.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.42 -56.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -91.1 -44.59 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -74.92 2.41 10.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.3 m-80 -163.56 114.26 1.01 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.48 -43.94 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.1 mm? -57.29 -51.74 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' ILE . 9.9 ttt -50.31 -42.97 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.7 -37.95 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -61.14 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.4 t80 -60.27 -56.58 19.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -41.78 -48.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -59.88 -43.17 94.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.55 -47.09 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' B' ' 343' ' ' LEU . 0.2 OUTLIER -62.67 -49.64 74.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -68.44 -19.74 64.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.16 -9.16 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.669 ' HG2' HD11 ' B' ' 340' ' ' ILE . 15.0 tppt? -93.16 -23.82 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.44 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -38.78 -31.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.89 -57.61 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.0 m-20 -62.9 -51.56 66.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -111.69 96.95 35.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 90.69 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.06 75.24 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.417 HG23 ' N ' ' B' ' 305' ' ' THR . 12.3 t -59.91 -48.91 79.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 307' ' ' GLU . 12.2 m 71.57 -59.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' B' ' 317' ' ' GLU . 7.7 p -68.48 67.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 305' ' ' THR . 2.1 pp20? -104.0 -31.83 9.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -83.93 10.63 59.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.501 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -118.63 -68.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.2 t30 61.66 133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.792 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 151.38 164.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 3.2 pt-20 -35.35 -61.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.633 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -59.5 -40.47 87.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.792 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -59.12 -40.45 85.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.627 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.04 -48.67 80.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.895 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -67.91 -36.99 81.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.78 ' HB2' HG11 ' B' ' 306' ' ' VAL . 2.8 mm-40 -55.91 -36.34 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -71.63 -49.82 36.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -70.21 -58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.895 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -48.91 -38.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.9 t -63.06 -55.21 27.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -31.12 71.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.1 mt -68.67 -44.02 74.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -49.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.18 49.36 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.755 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.4 tppp? -41.21 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -27.86 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -24.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.463 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.9 OUTLIER -51.38 -27.22 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.77 -47.48 86.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' B' ' 331' ' ' LEU . 0.2 OUTLIER -77.34 -53.12 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.806 ' HB1' ' OD1' ' B' ' 335' ' ' ASP . . . -80.19 51.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -48.98 -22.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -52.12 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.806 ' OD1' ' HB1' ' B' ' 332' ' ' ALA . 35.6 m-20 -65.28 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.463 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -39.1 -30.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.26 -61.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.432 ' N ' HD22 ' B' ' 338' ' ' LEU . 3.2 mm? -100.42 -12.75 19.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.5 -52.77 3.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.771 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.8 pp -106.6 19.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.505 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -56.89 -17.44 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -81.03 -5.27 57.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.771 HD13 ' HB ' ' B' ' 340' ' ' ILE . 3.5 mp -99.8 -40.71 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.65 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -74.56 -3.65 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' B' ' 344' ' ' VAL . 3.5 pt20 -35.65 -34.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . -179.29 130.7 1.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 347' ' ' GLY . . . . . 0.416 ' HA3' ' NH2' ' A' ' 48' ' ' ARG . . . -129.07 -128.55 3.07 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -92.12 -73.06 1.23 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.76 49.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.32 -177.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.58 ' HB ' HG22 ' B' ' 344' ' ' VAL . 1.2 m -93.17 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.794 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.55 -12.63 16.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.636 ' N ' HD22 ' B' ' 352' ' ' LEU . 13.7 t -44.3 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -48.76 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.677 ' O ' HG13 ' B' ' 356' ' ' VAL . 6.1 mp -82.17 -102.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.886 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.8 m -159.57 104.83 1.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.65 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 3.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.564 1.823 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.718 ' CB ' HD11 ' B' ' 361' ' ' LEU . 7.1 ttt180 -126.31 -46.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.886 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 164.92 -64.02 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.424 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.6 OUTLIER -130.63 -51.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.718 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.84 -53.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -112.35 160.28 17.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -43.4 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.539 HG23 ' N ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -167.91 168.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -89.43 132.22 37.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.03 3.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 m -102.11 -19.37 15.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -75.27 -54.91 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HG ' HD12 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -46.12 -40.12 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.881 ' H ' HD13 ' A' ' 11' ' ' LEU . 5.3 mt-30 -62.92 -35.2 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.8 m-20 -72.41 -32.32 66.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD23 ' HG ' ' B' ' 319' ' ' LEU . 19.1 tp -64.12 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.8 33.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.3 ttm180 -74.95 -24.95 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -74.53 -51.22 15.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.848 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.75 -31.26 6.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.6 mptp? -53.07 -33.27 51.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.626 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.5 -174.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.626 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.95 -37.0 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.632 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 88.84 84.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.621 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.67 -62.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -97.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.1 tt0 -60.55 -50.71 72.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tm0? -31.18 -61.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -41.72 -49.75 4.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.0 mt-30 -72.87 -26.0 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.6 mm100 -69.94 -51.3 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.66 -52.24 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.07 -35.05 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.4 m-20 -58.07 -66.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.01 -58.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -41.41 -30.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 33' ' ' ILE . 12.0 mttm -84.28 -46.53 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.459 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -75.43 -0.17 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 12.6 m-80 -159.69 109.9 1.47 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -45.08 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.851 HD21 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -55.93 -49.88 72.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.497 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 14.5 ttt -56.76 -41.92 78.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.23 -46.53 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -61.88 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.839 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.2 t80 -53.79 -57.55 10.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -46.85 -39.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.5 mmpt? -66.48 -34.66 78.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 tm0? -68.57 -45.16 72.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.681 HH21 ' HB ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -64.29 -40.61 96.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.648 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.5 t -74.0 -22.48 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -12.36 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HG2' HD11 ' B' ' 340' ' ' ILE . 10.9 tppt? -87.17 -24.47 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.922 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.31 -52.9 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.54 -30.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.65 -53.29 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -66.09 -40.76 91.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.34 95.82 32.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.7 14.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.1 44.45 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.434 HG23 ' N ' ' B' ' 305' ' ' THR . 5.2 t -63.83 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.721 ' O ' HG23 ' B' ' 305' ' ' THR . 1.1 t -176.31 34.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.744 HG11 ' O ' ' B' ' 314' ' ' ALA . 12.1 m -118.69 -37.58 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -35.37 114.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 117.42 -27.97 7.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.824 ' HE ' ' HZ3' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -111.82 -63.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 4.7 t30 60.02 147.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.637 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.1 m-20 151.87 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.692 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.6 tt0 -39.94 -55.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.934 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -60.78 -33.97 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.934 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -71.19 -29.98 65.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.886 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.6 mm? -65.9 -61.02 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -63.36 -26.72 68.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.63 ' HA ' HG12 ' B' ' 320' ' ' VAL . 4.7 mm-40 -71.44 -32.06 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -70.94 -51.3 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.969 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -65.13 -51.46 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.969 ' N ' HD13 ' B' ' 319' ' ' LEU . 3.4 p -59.15 -37.07 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 2.1 m -57.92 -51.13 70.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -30.95 71.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.848 HD21 ' HG ' ' A' ' 18' ' ' LEU . 11.1 mt -61.78 -46.42 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -46.52 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.14 50.56 1.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.464 ' HZ2' HD21 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -41.66 118.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.32 -31.16 43.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -46.43 -35.98 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.663 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.3 m -50.4 -29.0 9.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.47 -56.04 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -30.17 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.747 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.67 49.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.763 ' HG3' HD22 ' B' ' 334' ' ' LEU . 9.7 pt-20 -55.07 -21.54 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -82.29 -39.38 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.5 m-20 -78.76 -17.05 56.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.663 ' HG2' HG23 ' B' ' 329' ' ' THR . 2.0 mtt180 -38.24 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.2 -62.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.679 HD12 ' HD2' ' A' ' 51' ' ' LYS . 1.5 mm? -99.32 -15.9 18.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.7 -48.47 3.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.861 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.2 pp -113.98 15.48 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.469 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -53.68 -21.91 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.782 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -73.38 -14.56 61.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.802 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mm? -89.16 -45.92 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.2 p -74.47 -3.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.8 tt0 -28.57 -44.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' B' ' 351' ' ' VAL . . . 139.67 -165.33 25.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.409 1.068 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.11 -140.2 18.26 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -73.3 81.14 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 0.3 OUTLIER 172.46 -33.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 0.5 OUTLIER 81.83 163.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.363 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.865 HG11 HD23 ' B' ' 361' ' ' LEU . 0.7 OUTLIER -133.45 -173.08 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.36 53.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.475 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.1 t 39.06 -151.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER 61.75 122.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.4 mt 39.9 45.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.686 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.0 m -12.23 109.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.732 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 -0.88 10.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.79 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -120.53 -78.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.539 ' C ' HG21 ' B' ' 356' ' ' VAL . . . -171.69 -37.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 361' ' ' LEU . 16.3 p -163.06 88.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.865 HD23 HG11 ' B' ' 351' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.87 -56.14 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 61.85 134.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.6 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -178.36 142.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -71.9 141.12 84.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.96 7.78 2.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -102.04 -19.25 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -74.92 -54.19 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.915 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -47.52 -40.45 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.915 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.53 -34.81 79.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' ALA . 78.6 m-20 -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -62.52 -69.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.31 -32.57 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 24.5 ttt-85 -70.79 -26.49 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.721 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.8 m -75.01 -48.3 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.859 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.9 mm? -51.31 -21.93 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' SER . 35.3 mmtt -60.23 -36.84 78.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.564 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.86 -177.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -32.22 5.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.526 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 85.99 84.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.04 -100.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 14.7 mt-30 -61.4 -52.83 62.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.658 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.38 -60.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -41.27 -49.4 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -73.62 -28.04 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.721 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.8 mm100 -68.46 -52.53 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -57.43 -53.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.04 -37.09 83.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 9.6 m-20 -56.57 -67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.66 -55.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -43.42 -29.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.8 mtmt -86.72 -36.37 18.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.4 t -83.82 0.16 48.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.71 ' CB ' HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -160.62 109.01 1.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -46.81 -31.63 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -75.58 -48.05 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -50.33 -46.2 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.11 -40.66 70.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.63 -61.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 14' ' ' LEU . 3.5 t80 -54.94 -55.28 32.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.7 -42.26 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.22 -39.94 92.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.0 OUTLIER -67.44 -44.68 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -61.64 -47.82 83.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.5 t -72.74 -20.87 61.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.88 -8.96 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.684 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -91.88 -26.15 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.72 -51.0 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.09 -31.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.2 -50.0 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -70.41 -51.6 28.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.1 pt20 -112.52 95.27 31.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.59 21.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.33 -77.0 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.412 ' CB ' ' HG2' ' B' ' 318' ' ' GLN . 7.0 t -151.41 -176.19 5.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.71 ' O ' HG13 ' B' ' 306' ' ' VAL . 1.1 t -150.08 22.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.71 HG13 ' O ' ' B' ' 305' ' ' THR . 8.6 m -160.63 -117.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.538 ' HG2' HD13 ' B' ' 315' ' ' LEU . 2.7 mt-10 67.96 137.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 35.92 29.31 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -132.9 -43.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.896 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -92.32 -50.14 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.38 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 7.9 m-20 150.41 -173.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' B' ' 315' ' ' LEU . 13.9 tt0 -47.12 -52.5 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.617 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -49.58 -32.83 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.896 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -69.15 -35.36 76.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.25 -60.03 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.764 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -62.32 -32.92 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 36.6 mm-40 -67.94 -30.5 69.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.441 ' C ' ' NE2' ' B' ' 318' ' ' GLN . 2.0 tm0? -67.39 -48.7 66.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.88 HD13 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.54 -33.73 62.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.824 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -65.29 -55.22 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 2.2 t -57.56 -46.18 84.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.71 -30.59 70.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.859 HD21 ' CD1' ' A' ' 18' ' ' LEU . 6.6 mt -67.61 -45.76 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -46.78 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.19 45.49 2.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.2 tppp? -40.97 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -71.11 -32.94 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 4.2 tp10 -50.7 -29.48 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.876 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.4 m -50.46 -26.72 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.16 -61.86 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -50.23 71.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -80.03 53.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.0 -22.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -51.04 11.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.669 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -64.94 -16.9 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.876 ' HA ' HG23 ' B' ' 329' ' ' THR . 61.2 ttt180 -44.97 -25.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -42.06 -62.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 51' ' ' LYS . 10.6 mp -92.67 -21.16 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.22 -7.71 50.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.815 ' HB ' HD12 ' B' ' 343' ' ' LEU . 1.8 pp -146.36 16.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.5 OUTLIER -53.49 -23.63 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.474 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -73.38 -22.07 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.815 HD12 ' HB ' ' B' ' 340' ' ' ILE . 94.2 mt -81.93 -45.5 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.678 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.1 p -75.96 -2.57 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.518 ' C ' ' O ' ' B' ' 344' ' ' VAL . 5.8 tt0 -29.45 -46.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 149.6 84.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.77 89.46 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -124.07 41.22 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.32 21.4 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.08 136.66 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.727 HG23 ' N ' ' B' ' 352' ' ' LEU . 4.6 m -135.27 -142.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.727 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -123.97 43.91 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.46 ' C ' ' O ' ' B' ' 352' ' ' LEU . 7.6 t 34.5 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER 50.97 99.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.52 95.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.587 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -55.12 108.25 1.11 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.678 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.03 2.62 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.872 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -125.78 -63.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.527 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 165.97 -38.02 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.556 ' C ' HD22 ' B' ' 361' ' ' LEU . 44.9 t -154.9 81.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -173.44 97.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 58.12 95.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p -88.33 -56.67 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 179.1 140.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 9' ' ' SER . 60.2 m -52.12 128.51 39.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.681 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 13.08 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 7' ' ' SER . 48.8 m -102.32 -9.56 20.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -85.61 -63.96 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.877 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -40.94 -33.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.587 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.6 pt20 -70.83 -44.56 66.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ALA . 92.0 m-20 -69.94 -29.61 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 44' ' ' PHE . 6.2 tt -63.5 -69.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.941 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.92 -29.46 60.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.0 ttm-85 -74.46 -24.84 59.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -78.56 -45.75 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.096 HD22 HD21 ' B' ' 323' ' ' LEU . 2.6 mt -49.55 -25.68 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -58.85 -23.79 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.642 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -60.04 -173.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 88.0 84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.5 OUTLIER 161.67 -63.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.05 -95.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -60.11 -52.78 63.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.646 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -29.9 -62.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -41.92 -49.85 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.83 -26.71 61.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.547 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.6 mt-30 -71.04 -54.68 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.942 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -57.18 -51.95 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.537 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.45 -33.79 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 2.7 m-20 -60.03 -68.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.65 -52.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.942 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.08 -30.85 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -85.74 -36.86 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -78.75 -4.84 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD22 ' A' ' 40' ' ' LEU . 12.7 m-80 -162.15 111.39 1.14 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -45.76 -33.22 2.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -69.49 -46.21 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.35 -35.06 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.32 -43.81 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -61.05 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.78 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.3 t80 -53.42 -56.67 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.85 -37.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -66.41 -42.56 87.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.858 ' CD ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.51 -19.69 59.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.5 ttt180 -88.6 -29.47 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 13.5 t -95.29 -13.3 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.95 -11.44 8.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.7 OUTLIER -90.38 -24.54 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -106.53 -49.2 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -47.17 -32.45 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -61.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.1 m-20 -57.55 -49.99 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.22 82.82 14.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.82 24.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.92 -58.94 3.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 111.01 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.702 ' O ' HG22 ' B' ' 304' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.702 HG22 ' O ' ' B' ' 303' ' ' PRO . 0.6 OUTLIER 83.17 157.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.43 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.764 HG22 ' O ' ' B' ' 305' ' ' THR . 2.0 m -145.22 43.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' B' ' 314' ' ' ALA . 8.2 m -152.27 29.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -12.12 60.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -106.06 21.57 33.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -146.45 -60.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.539 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 10.7 t-20 61.11 138.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.22 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.6 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.5 m-20 152.88 163.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.9 tt0 -40.81 -56.1 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.933 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -59.07 -31.83 69.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.933 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -74.64 -32.63 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.57 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.22 -62.06 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.979 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -60.08 -49.88 75.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 5.0 mm-40 -43.23 -40.58 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.69 -42.54 77.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.02 -57.48 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.979 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.2 OUTLIER -55.19 -44.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -56.71 -40.53 75.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.724 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -75.1 -32.07 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 1.096 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -61.18 -46.61 89.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -54.37 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.78 47.92 3.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.57 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 1.5 tppp? -40.86 119.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -37.89 55.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.5 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 0.8 OUTLIER -45.83 -25.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.526 HG23 ' HA ' ' B' ' 336' ' ' ARG . 4.0 m -50.69 -26.27 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.41 -71.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.51 72.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.86 51.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.11 -22.63 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.826 HD22 ' C ' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -76.89 -28.78 55.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.826 ' N ' HD22 ' B' ' 334' ' ' LEU . 4.0 m-20 -81.15 -18.17 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -43.21 -32.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.546 ' CB ' HD22 ' B' ' 355' ' ' LEU . . . -41.73 -60.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' B' ' 355' ' ' LEU . 0.3 OUTLIER -103.06 -12.19 17.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.6 -55.27 2.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.749 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.7 pp -101.6 12.42 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.9 OUTLIER -55.3 -18.59 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.5 ' HZ3' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -78.09 -8.77 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.653 HD12 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mt -94.92 -45.42 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -69.17 -7.55 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -32.17 -38.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 158.57 -174.81 35.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 70.21 145.76 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 69.59 95.87 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 0.0 OUTLIER 72.62 -77.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 2.2 m-20 157.55 175.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.818 HG11 HD23 ' B' ' 361' ' ' LEU . 1.0 OUTLIER -94.45 168.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.803 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.31 65.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.448 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.7 m 35.88 -141.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.5 OUTLIER 69.36 -169.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -38.93 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 354' ' ' LYS . 3.7 m -38.63 99.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.801 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.97 2.98 6.01 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.577 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.45 -49.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 162.64 -43.72 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 361' ' ' LEU . 38.5 p -156.8 90.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.818 HD23 HG11 ' B' ' 351' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.56 98.69 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -145.73 163.38 35.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -89.14 -59.19 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -169.07 155.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.468 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.0 m -57.69 132.38 82.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.879 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -17.63 19.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -88.3 -32.22 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -58.29 -55.98 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.993 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -40.13 -46.41 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 21.9 mt-30 -58.9 -42.9 90.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 10' ' ' ALA . 68.5 m-20 -62.58 -29.75 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 44' ' ' PHE . 27.7 tp -65.83 -61.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.034 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -58.34 -33.74 69.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 14.2 ttt180 -76.92 -21.73 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.5 m -76.37 -45.6 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HE1' ' A' ' 44' ' ' PHE . 3.9 mm? -62.29 -16.28 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' SER . 6.2 mmtp -70.36 -33.1 71.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.41 -178.75 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -31.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.86 84.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.605 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.84 -60.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -101.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.7 mt-30 -61.86 -52.31 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.78 -61.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -42.05 -49.82 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.5 mt-30 -72.87 -28.07 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.756 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.2 mt-30 -67.1 -52.13 45.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.76 -51.84 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.05 -33.09 74.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 15.8 m-20 -64.69 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -53.54 -46.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -56.96 -28.21 62.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -89.68 -50.12 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -4.14 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.084 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -157.71 105.99 1.79 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB2' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.29 -26.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.084 HD12 ' CB ' ' A' ' 37' ' ' ASN . 34.4 mt -76.7 -55.1 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 45' ' ' ILE . 12.6 ttt -47.52 -43.23 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.06 -45.6 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -54.48 13.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 34' ' ' LEU . 26.6 t80 -58.58 -56.85 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.58 -39.91 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mmpt? -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.772 ' OE1' HG13 ' B' ' 320' ' ' VAL . 36.5 tp60 -77.45 -19.29 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -83.45 -31.08 26.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 53' ' ' VAL . 2.7 t -101.18 -11.1 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -54.61 -15.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.64 -27.98 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.735 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.88 -53.93 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.655 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.39 -26.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -69.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -61.47 -39.04 89.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -127.17 80.31 71.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' CA ' ' O ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.99 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.56 -43.88 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.649 HG23 ' N ' ' B' ' 305' ' ' THR . 0.6 OUTLIER 49.89 -173.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.649 ' N ' HG23 ' B' ' 304' ' ' THR . 4.8 p -149.95 -179.36 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.459 HG22 ' C ' ' B' ' 305' ' ' THR . 25.9 m 43.63 39.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -88.79 -16.07 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -98.94 15.57 60.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -137.25 -56.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.6 t30 61.13 141.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.737 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 6.6 m-20 151.34 166.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' HD23 ' B' ' 316' ' ' LEU . 3.0 tt0 -38.85 -60.79 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.784 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.41 -33.03 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.784 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -69.34 -33.57 73.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -64.14 -61.36 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.964 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.57 -32.36 68.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 -34.53 78.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.949 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -79.04 -35.12 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.964 HG23 ' O ' ' B' ' 316' ' ' LEU . 94.1 t -69.02 -44.87 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.8 t -67.42 -43.91 80.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 15' ' ' LEU . 2.2 t80 -59.52 -40.36 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' B' ' 323' ' ' LEU . 8.5 mt -66.01 -47.98 72.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.68 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -106.01 49.19 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.517 ' HB2' ' CG2' ' B' ' 340' ' ' ILE . 1.8 tppp? -40.11 131.53 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -86.86 -30.61 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -48.64 -22.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.72 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.06 -31.5 13.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.41 -41.08 93.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.83 -49.48 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.716 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.844 ' HG3' HD22 ' B' ' 334' ' ' LEU . 10.2 pt-20 -51.4 -22.72 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.844 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.0 mm? -79.23 -53.5 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 13.5 m-20 -69.34 -14.11 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.72 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.6 -29.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -34.43 -62.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 51' ' ' LYS . 10.4 mp -93.66 -24.16 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.75 -19.16 12.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.762 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.5 pp -140.83 16.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.63 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -64.33 -9.85 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.716 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -90.96 -10.94 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.88 ' O ' HD12 ' B' ' 343' ' ' LEU . 0.2 OUTLIER -97.88 -16.63 19.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 351' ' ' VAL . 0.6 OUTLIER -97.95 -7.35 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.511 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.54 -36.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 161.8 137.92 2.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -153.04 30.62 0.8 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 348' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 349' ' ' LEU . . . 95.04 57.71 1.21 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' B' ' 348' ' ' GLY . 2.1 mt 58.82 113.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.0 t0 172.57 -36.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.867 HG23 ' H ' ' B' ' 353' ' ' SER . 1.0 OUTLIER -41.43 146.77 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.692 HD22 ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -59.4 -12.31 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.867 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.12 -60.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -39.16 137.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.43 -165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.64 HG12 HD23 ' B' ' 361' ' ' LEU . 1.1 m -135.23 96.77 13.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.505 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.04 1.27 7.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.808 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -128.61 -75.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 172.88 78.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 92.81 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.808 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 0.9 OUTLIER 70.14 -62.4 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.52 154.34 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -70.93 -71.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -156.0 156.96 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.608 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.39 129.91 80.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.907 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -12.15 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -81.12 -32.4 33.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -57.27 -62.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.907 HD21 ' HA ' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -40.21 -52.58 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.62 -42.41 74.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ALA . 90.2 m-20 -67.02 -29.4 69.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 40' ' ' LEU . 12.8 tp -63.93 -70.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -31.34 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 20.3 ttm180 -75.35 -23.57 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.726 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -76.15 -49.5 17.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.083 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.717 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mm? -51.23 -22.15 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.6 mptp? -60.62 -35.21 75.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.572 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.37 -178.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -25.13 12.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 5.2 m 77.98 84.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.058 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.615 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 163.86 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -102.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.6 tt0 -59.99 -48.88 79.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.6 tm0? -33.2 -58.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -43.07 -49.74 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.1 mt-30 -72.53 -25.32 61.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.726 ' CB ' HG23 ' A' ' 17' ' ' THR . 11.3 mt-30 -69.28 -50.54 45.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -61.76 -51.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.88 -33.69 74.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -60.21 -69.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.92 -51.23 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -50.06 -29.34 8.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.0 mtmm -90.04 -43.76 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -73.04 -3.49 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.613 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.8 m-80 -160.72 107.04 1.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.3 tp60 -51.14 -17.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.962 HD11 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -79.7 -51.42 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -52.98 -26.42 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -49.38 -43.57 44.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.4 -61.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.95 ' HB2' HD21 ' A' ' 14' ' ' LEU . 8.0 t80 -57.15 -57.7 11.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.23 -50.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.39 -40.69 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' HG3' HD12 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -73.58 -43.99 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.4 t -76.12 -18.66 59.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.07 -10.71 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -94.74 -26.95 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 1.08 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -102.52 -49.96 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.21 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.33 -58.98 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -67.52 -49.98 60.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -117.09 82.9 14.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.29 42.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' MET . . . 155.68 -53.98 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.569 HG23 ' N ' ' B' ' 305' ' ' THR . 6.1 t -92.6 -158.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.71 ' O ' HG23 ' B' ' 305' ' ' THR . 1.3 t -176.34 35.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.927 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 28.5 m -134.79 10.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -62.96 -25.5 68.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -106.45 -3.23 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.528 ' NE ' ' NZ ' ' B' ' 313' ' ' LYS . 0.1 OUTLIER -115.77 -70.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.1 t-20 62.75 133.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.628 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER 155.01 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 15.9 tt0 -34.71 -59.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.816 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -57.37 -42.89 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.927 ' HB1' ' HB ' ' B' ' 306' ' ' VAL . . . -60.64 -39.81 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.74 HD23 HD22 ' A' ' 11' ' ' LEU . 11.1 mp -55.49 -44.03 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.871 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.14 -33.87 61.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 3.5 mt-10 -64.25 -28.73 69.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.77 -51.2 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.2 -47.96 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 316' ' ' LEU . 89.8 t -54.94 -53.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.8 m -51.91 -51.31 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.84 -30.63 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.7 mt -67.46 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -52.99 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.63 50.78 4.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.505 ' HA ' ' NZ ' ' B' ' 326' ' ' LYS . 0.7 OUTLIER -43.26 124.91 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.747 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.47 -38.0 74.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.73 -31.95 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.4 -30.24 11.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.33 -50.26 74.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 17.9 tp -77.96 -49.13 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.756 ' HB1' ' HZ1' ' B' ' 342' ' ' LYS . . . -81.01 49.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.653 ' HG3' HD12 ' B' ' 334' ' ' LEU . 18.2 pt-20 -53.27 -22.74 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' B' ' 333' ' ' GLU . 8.6 mp -76.48 -52.02 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.833 ' HB2' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -71.29 -14.4 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' B' ' 337' ' ' ALA . 7.0 ttm180 -38.23 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -36.09 -61.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' B' ' 341' ' ' ASP . 2.2 mm? -79.87 -30.74 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.58 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 69.24 8.36 58.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.743 ' O ' HG12 ' B' ' 344' ' ' VAL . 2.7 pp -155.93 21.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -68.15 -2.01 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.833 ' HZ1' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -89.31 -41.1 12.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.604 HD21 ' HB ' ' B' ' 340' ' ' ILE . 2.2 pp -72.53 -11.12 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.743 HG12 ' O ' ' B' ' 340' ' ' ILE . 1.6 p -116.36 -4.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' B' ' 358' ' ' ARG . 0.8 OUTLIER -31.71 -48.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . 94.18 81.95 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -80.82 51.27 4.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.68 -59.71 0.54 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 172.12 86.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.91 34.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.729 HG23 ' N ' ' B' ' 352' ' ' LEU . 0.6 OUTLIER -130.11 -170.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 1.08 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.64 45.71 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.546 ' N ' HG23 ' B' ' 351' ' ' VAL . 2.0 t 29.16 51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.864 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.3 OUTLIER -94.76 103.49 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.457 ' C ' HG22 ' B' ' 356' ' ' VAL . 1.4 mm? 43.37 31.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 355' ' ' LEU . 6.5 m 43.09 94.84 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.43 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.97 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.771 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.1 ttp85 -120.19 -67.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 149.41 67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 89.68 76.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.771 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -139.4 155.88 47.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 69.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -155.96 -150.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.546 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -167.05 161.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.447 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -72.3 131.43 84.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.668 ' O ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 6.96 3.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -101.35 -9.39 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.08 -61.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.821 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -46.29 -30.44 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.4 mt-30 -70.98 -38.66 72.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ALA . 3.0 m-20 -76.87 -29.5 55.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.978 HD12 HD11 ' A' ' 40' ' ' LEU . 5.2 tt -62.7 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -62.35 -35.94 80.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.2 ttt-85 -71.99 -18.79 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -77.62 -49.69 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.1 mm? -48.66 -26.51 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -56.09 -37.5 69.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.574 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.2 -178.21 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.91 -32.3 5.64 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.54 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.6 m 85.86 82.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.602 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 164.31 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -74.99 -102.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 tt0 -60.78 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.4 tm0? -32.43 -59.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.566 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.73 -50.16 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.566 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.16 -26.25 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.7 mt-30 -67.66 -51.33 51.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.906 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.2 m -60.08 -50.8 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -63.03 -37.34 86.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 36' ' ' SER . 0.6 OUTLIER -54.53 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.24 -47.53 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.906 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.39 -33.93 45.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -92.53 -26.23 18.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.3 t -86.83 -2.39 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 33' ' ' ILE . 14.2 m-80 -162.62 111.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.02 -66.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.7 tt0 -45.62 -32.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.978 HD11 HD12 ' A' ' 14' ' ' LEU . 3.1 tm? -74.33 -41.9 60.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 45' ' ' ILE . 8.2 ttt -58.21 -36.08 72.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.58 -38.34 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.846 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.6 t80 -60.7 -55.93 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -40.71 -49.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.68 -42.99 97.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' NE2' HG13 ' B' ' 320' ' ' VAL . 20.2 mm-40 -54.31 -45.33 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.881 ' NH1' HD22 ' B' ' 343' ' ' LEU . 1.9 mmp_? -72.53 -45.5 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.594 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -59.7 -28.5 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 53' ' ' VAL . . . -60.13 -12.34 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.035 ' HZ3' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -88.65 -33.14 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.923 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -96.71 -25.21 15.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.4 -28.95 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.63 62.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -110.4 -44.75 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 7.2 pt20 -124.49 91.59 49.27 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 129.78 12.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.24 75.27 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 4.8 t -77.66 -34.85 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 40.37 56.27 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 306' ' ' VAL . 8.8 p -175.09 43.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.37 0.59 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -116.29 4.59 19.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.1 OUTLIER -118.26 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.0 t-20 61.35 131.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.779 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 t70 151.87 166.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.4 tt0 -37.34 -60.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.905 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.74 -34.07 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.905 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.93 -30.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.687 HD23 ' HG ' ' A' ' 11' ' ' LEU . 11.0 mp -66.19 -62.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.958 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.83 -31.86 68.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 28.4 mm-40 -64.8 -37.7 88.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.19 -45.06 86.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -71.09 -39.8 71.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.958 HG23 ' O ' ' B' ' 316' ' ' LEU . 53.8 t -59.16 -52.17 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -42.96 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.516 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.719 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.3 mt -72.63 -35.8 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -46.15 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.24 50.16 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.583 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.2 OUTLIER -42.6 113.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -38.32 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' B' ' 328' ' ' GLU . 0.1 OUTLIER -46.29 -36.14 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.78 -31.3 16.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -55.01 -66.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -52.55 64.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.591 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . . . -80.37 52.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.46 -22.56 3.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -52.32 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.557 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.7 m-20 -62.42 -14.77 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' B' ' 329' ' ' THR . 0.1 OUTLIER -42.4 -26.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.73 ' C ' HD23 ' B' ' 338' ' ' LEU . . . -44.45 -43.97 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 1.035 HD13 ' HZ3' ' A' ' 51' ' ' LYS . 1.6 mt -110.17 -19.68 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.24 -53.96 1.86 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.742 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -105.75 20.06 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.703 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -58.56 -11.61 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.591 ' HZ2' ' HB3' ' B' ' 332' ' ' ALA . 3.3 mppt? -87.86 -25.84 23.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.881 HD22 ' NH1' ' A' ' 48' ' ' ARG . 1.1 mp -83.56 -41.49 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.812 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.1 p -75.06 -10.61 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.515 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -29.02 -46.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 154.63 -150.64 22.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 139.93 -12.02 3.11 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -174.3 -90.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.33 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 16.8 t0 176.02 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.663 HG11 ' O ' ' B' ' 344' ' ' VAL . 28.3 m -50.92 163.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.923 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -72.7 89.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.713 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.9 p -43.42 -33.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -49.12 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.2 OUTLIER -69.48 60.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.713 HG13 ' O ' ' B' ' 353' ' ' SER . 7.6 m -38.38 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.812 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 2.45 6.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.705 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.97 -46.35 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.636 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 165.14 -62.37 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.441 ' N ' HD22 ' B' ' 361' ' ' LEU . 1.7 t -134.37 -50.51 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 179.02 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.19 -46.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -126.94 -72.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.941 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.559 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 177.13 170.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.5 m -89.77 132.93 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 1.084 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.02 2.65 6.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.1 p -103.13 -11.2 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -77.18 -56.53 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.084 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.23 -26.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.712 ' H ' HD22 ' A' ' 11' ' ' LEU . 20.9 mt-30 -73.71 -40.14 63.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.6 m-20 -76.55 -29.67 56.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.93 -64.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.04 -33.48 67.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 9.6 ttm-85 -73.82 -28.3 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.841 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.9 m -66.92 -41.3 87.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.4 mm? -61.63 -22.02 64.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 5.3 mmtt -60.76 -37.96 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.55 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.55 -178.82 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.548 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 m 86.38 83.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.591 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.64 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -102.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.65 -49.07 79.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.0 tm0? -33.26 -59.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.555 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 5.0 pt20 -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 tt0 -72.47 -26.7 61.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.841 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.5 mt-30 -71.06 -53.92 12.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -55.91 -50.29 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.78 -31.57 72.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' SER . 5.1 m-20 -61.43 -58.18 9.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -68.69 -43.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -56.82 -32.33 65.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.6 ptpt -92.07 -31.0 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASN . 51.9 m -86.15 -1.18 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.696 ' HB3' HD23 ' A' ' 40' ' ' LEU . 20.3 m-80 -163.24 113.42 1.03 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.7 tp60 -47.59 -32.94 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.696 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.2 mm? -68.8 -54.74 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.0 tmm? -52.62 -39.98 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -48.91 -45.79 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' B' ' 316' ' ' LEU . . . -68.14 -61.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 18' ' ' LEU . 4.5 t80 -53.14 -56.57 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -47.54 -43.42 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -59.63 -40.68 88.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tm0? -67.41 -45.05 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.0 mtm180 -60.39 -52.5 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.4 t -68.02 -24.18 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.385 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.11 -9.45 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.7 tptt -92.25 -27.47 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.856 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -104.37 -50.8 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.51 -35.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.8 -59.05 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -62.07 -47.65 83.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.8 99.74 50.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.7 42.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.65 74.49 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.871 HG21 ' OE1' ' B' ' 318' ' ' GLN . 9.1 t -66.32 -136.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.62 ' N ' HG23 ' B' ' 304' ' ' THR . 0.2 OUTLIER -146.47 161.41 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.497 HG23 ' N ' ' B' ' 307' ' ' GLU . 29.4 m 42.07 -140.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.497 ' N ' HG23 ' B' ' 306' ' ' VAL . 0.0 OUTLIER 71.72 152.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 35.28 35.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -148.18 -50.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.507 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 2.1 m-80 -86.79 -79.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 17.1 t70 -174.64 -179.1 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.851 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.1 tt0 -41.94 -53.23 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.78 -33.23 9.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -71.89 -35.35 69.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -59.21 -61.52 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.949 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.41 -37.67 75.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.592 ' HA ' HG22 ' B' ' 320' ' ' VAL . 14.4 mm-40 -57.12 -33.4 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.871 ' OE1' HG21 ' B' ' 304' ' ' THR . 0.2 OUTLIER -71.69 -46.15 59.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.759 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -71.76 -56.34 5.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.949 HG13 ' O ' ' B' ' 316' ' ' LEU . 3.7 m -50.44 -39.84 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.5 m -60.29 -54.5 44.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.67 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.557 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 3.0 mt -70.14 -37.75 75.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.66 -51.93 58.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.59 53.4 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.557 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -41.21 118.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -39.68 68.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.432 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . 2.5 tp10 -47.78 -24.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.605 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.9 m -51.45 -37.59 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -49.63 76.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.52 -50.87 41.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.83 52.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 14.7 pt-20 -51.68 -22.36 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.84 -35.74 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.628 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.8 m-20 -78.56 -14.61 59.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.605 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.37 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.0 -63.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.916 HD22 ' OD1' ' B' ' 341' ' ' ASP . 8.3 mp -93.55 -23.17 18.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.583 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 75.86 -6.69 32.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.6 pp -155.58 22.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.916 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -49.7 -30.55 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.3 OUTLIER -61.58 -29.26 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.462 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 2.9 mp -79.4 -25.56 42.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.856 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -88.51 -6.36 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.469 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 0.4 OUTLIER -36.57 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 177.04 -132.74 2.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 153.36 -83.67 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.05 -71.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -59.06 3.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 170.03 -176.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.873 HG23 ' H ' ' B' ' 353' ' ' SER . 18.4 m -96.71 -161.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -100.85 -8.37 22.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.873 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.04 -56.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' B' ' 353' ' ' SER . 1.5 ttmt -40.65 109.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 66.21 79.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 361' ' ' LEU . 5.7 m -39.86 101.18 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.43 6.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.727 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -116.71 -34.34 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 133.64 -53.14 0.8 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.555 ' C ' HD22 ' B' ' 361' ' ' LEU . 22.7 t -150.56 93.49 1.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 0.793 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.797 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 60.64 159.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 60.63 150.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m 47.32 -168.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.553 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -152.72 158.61 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.553 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.51 148.14 98.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.667 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -65.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -34.86 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -60.97 -58.47 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.076 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.64 -32.73 52.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' N ' HD22 ' A' ' 11' ' ' LEU . 4.9 mt-30 -74.47 -31.06 62.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -74.25 -32.36 62.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 319' ' ' LEU . 1.1 tp -68.21 -60.39 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -52.64 -38.34 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.6 ttm180 -76.45 -23.2 53.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.87 HD22 HD21 ' B' ' 323' ' ' LEU . 3.3 mt -63.73 -25.3 68.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.9 mptp? -59.0 -24.89 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.649 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -58.51 -173.75 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.04 -36.54 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.582 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 89.42 74.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 171.7 -62.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.983 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -95.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -57.36 -52.39 65.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 17' ' ' THR . 36.1 tp60 -28.48 -62.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.544 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -42.46 -49.74 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -72.66 -27.18 61.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.64 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -72.3 -54.5 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.858 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -55.7 -49.83 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.93 -32.1 73.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' SER . 1.9 m-20 -59.42 -59.08 6.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -68.71 -44.38 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.58 -31.93 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -93.38 -28.23 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASN . 50.9 m -89.25 1.2 56.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.1 m-80 -163.16 111.89 1.03 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.04 -68.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.507 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 43.0 tp60 -45.88 -27.46 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD11 ' CD2' ' A' ' 14' ' ' LEU . 3.3 tm? -74.91 -53.68 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -54.21 -26.98 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -60.81 -40.5 92.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.45 -56.25 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.722 ' CZ ' HD23 ' B' ' 343' ' ' LEU . 2.7 t80 -58.94 -57.54 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.545 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.13 -35.35 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.681 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.5 mmmt -75.65 -32.66 60.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.5 tp60 -72.62 -46.96 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.61 -37.33 79.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -77.43 -20.21 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.22 -10.58 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.62 -29.31 20.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 1.014 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -102.84 -53.66 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.437 ' O ' ' CA ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -41.16 -27.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.14 -69.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -60.65 -38.94 86.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.512 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -126.85 80.07 71.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.01 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.44 59.9 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.976 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.789 ' O ' HG22 ' B' ' 306' ' ' VAL . 9.9 t -174.64 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.529 ' O ' HG13 ' B' ' 306' ' ' VAL . 0.8 OUTLIER 39.67 39.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.902 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 21.9 m -156.25 25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -34.53 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -89.69 1.06 80.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.614 ' NH1' ' HZ1' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -123.66 -64.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.4 t30 63.03 150.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.692 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.0 m-20 150.38 159.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.603 ' O ' HD23 ' B' ' 316' ' ' LEU . 74.5 tt0 -37.83 -54.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.906 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -63.96 -36.5 84.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.906 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.47 -29.01 68.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 11' ' ' LEU . 10.9 mp -66.93 -61.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.773 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -62.19 -31.63 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -68.48 -35.13 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.487 ' HB2' HG21 ' B' ' 306' ' ' VAL . 16.3 tt0 -64.13 -50.96 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.769 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.74 -34.48 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 316' ' ' LEU . 4.9 t -61.45 -55.0 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -43.29 79.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -64.33 -32.68 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.87 HD21 HD22 ' A' ' 18' ' ' LEU . 5.5 mt -68.11 -45.23 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -41.56 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.48 45.36 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.9 OUTLIER -41.68 124.2 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 13.5 m-20 -76.8 -33.67 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -32.42 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.5 OUTLIER -67.5 -33.97 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -53.87 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.29 53.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.735 ' HG3' HD22 ' B' ' 334' ' ' LEU . 16.2 pt-20 -47.54 -23.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -74.82 -49.34 21.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.61 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -66.2 -14.38 61.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' B' ' 335' ' ' ASP . 5.8 tmm_? -35.9 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -50.16 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' B' ' 341' ' ' ASP . 0.9 OUTLIER -86.65 -29.71 22.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.593 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.46 -0.13 43.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.593 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.5 pp -156.08 22.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.667 ' HB2' HD23 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -52.1 -20.4 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 2.4 mptt -73.68 -25.79 60.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.722 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 2.0 mp -88.12 -14.82 37.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 1.014 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -95.32 -4.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' B' ' 345' ' ' GLN . 4.2 pm0 -39.2 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 344' ' ' VAL . . . -172.64 -80.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 86.29 -120.63 5.48 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -63.13 -52.02 50.69 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.67 129.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.4 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.405 HG11 ' HG2' ' B' ' 357' ' ' PRO . 6.3 m -138.21 174.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.75 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -120.15 -5.47 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.455 ' N ' HD22 ' B' ' 352' ' ' LEU . 14.8 t -50.31 -179.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.055 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -31.87 10.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.59 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.7 mt -110.02 -99.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.59 HG13 ' O ' ' B' ' 355' ' ' LEU . 2.2 m -156.71 108.26 1.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.483 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -74.98 2.9 6.11 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.794 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.8 OUTLIER -121.19 -51.32 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 154.9 -47.28 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.505 ' C ' HD22 ' B' ' 361' ' ' LEU . 85.2 p -155.09 86.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.798 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.21 171.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.5 mmt-85 -42.8 151.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -41.55 -58.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -174.15 159.25 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 9' ' ' SER . 6.1 m -75.49 129.19 82.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.881 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 10.78 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 7' ' ' SER . 15.4 m -102.26 -10.75 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -80.96 -60.22 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.63 -32.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.746 ' H ' HD22 ' A' ' 11' ' ' LEU . 14.3 mt-30 -73.88 -41.09 62.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 40.7 m-20 -69.63 -28.06 65.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -65.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.04 -39.86 43.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.5 ttm105 -70.01 -28.98 65.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.55 -40.8 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.949 HD22 HD21 ' B' ' 323' ' ' LEU . 3.5 mt -63.87 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 11.1 mmtt -52.96 -22.97 6.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.691 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 p -60.3 -171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.691 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -74.98 -35.16 3.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.639 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 85.2 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.631 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -62.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -96.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.7 mt-30 -60.98 -52.13 66.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.688 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -29.21 -62.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -40.64 -50.65 3.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -73.16 -28.65 62.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -67.71 -54.01 22.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -57.58 -53.91 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.54 -35.57 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.8 m-20 -60.2 -69.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -53.57 -60.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.05 -29.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.7 mttm -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.9 m -72.28 -8.09 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.693 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 11.2 m-80 -158.98 96.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.03 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.7 tt0 -45.26 -23.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 14' ' ' LEU . 3.4 tm? -83.96 -45.5 13.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -49.91 -24.33 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.45 -38.7 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.89 -61.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 1.4 t80 -57.53 -56.72 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.21 -46.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.6 mmmt -63.7 -38.74 92.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -62.42 -49.98 73.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.527 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.12 -35.47 80.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.633 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -76.48 -18.25 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.387 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.63 -9.13 12.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.684 ' HG2' HD11 ' B' ' 340' ' ' ILE . 13.6 tptt -92.43 -23.04 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.887 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -109.06 -51.18 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.493 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.03 -32.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -62.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 7.6 m-20 -54.48 -46.81 73.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 94.41 30.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.79 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.16 77.16 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.688 ' O ' HG23 ' B' ' 305' ' ' THR . 9.0 t 39.31 -160.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.688 HG23 ' O ' ' B' ' 304' ' ' THR . 2.2 p -159.63 157.38 29.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.605 ' O ' HG12 ' B' ' 306' ' ' VAL . 98.0 t 67.29 12.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.493 ' HG3' ' CG2' ' B' ' 304' ' ' THR . 0.0 OUTLIER -44.38 147.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 85.71 -25.7 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.546 ' HB3' HG12 ' B' ' 306' ' ' VAL . 0.0 OUTLIER -103.54 -56.92 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.594 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.4 t-20 56.69 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.766 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.0 m-20 148.99 162.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.2 tt0 -36.89 -57.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.99 -36.85 82.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.766 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -65.68 -35.5 80.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.592 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.1 -62.03 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.978 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.38 -42.9 88.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 25.4 mm-40 -46.38 -41.7 13.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.59 -35.93 68.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.58 -47.01 57.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.978 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -65.52 -37.79 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -66.54 -46.25 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -31.14 72.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.949 HD21 HD22 ' A' ' 18' ' ' LEU . 10.6 mt -68.42 -45.63 72.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -46.98 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.23 52.33 1.08 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.478 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.8 tppp? -41.57 107.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -28.3 66.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.26 -25.38 47.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.62 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.7 m -56.69 -38.75 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.84 -47.42 84.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.69 -48.28 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.83 54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.868 ' HG3' HD12 ' B' ' 334' ' ' LEU . 12.1 pt-20 -46.45 -23.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.868 HD12 ' HG3' ' B' ' 333' ' ' GLU . 11.1 mp -77.47 -45.43 25.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.612 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.4 OUTLIER -70.73 -16.63 62.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.62 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.4 tmm_? -42.24 -27.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -47.12 -61.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' B' ' 341' ' ' ASP . 5.4 mp -95.14 -23.3 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.44 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 82.15 -17.44 17.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.684 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -152.55 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.709 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -47.9 -35.54 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -60.69 -29.5 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -80.35 -35.4 35.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.887 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -75.96 -3.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 9.7 pt20 -42.56 -30.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 171.42 -103.26 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 82.6 50.16 4.84 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 115.37 22.66 4.74 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 5.8 tp 58.32 82.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 9.1 t0 177.89 104.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.492 HG12 ' O ' ' B' ' 344' ' ' VAL . 5.9 m -132.1 144.83 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.729 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -110.35 -8.61 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.453 ' N ' HD22 ' B' ' 352' ' ' LEU . 15.5 t -45.55 171.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -99.66 -31.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.99 -108.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.511 HG12 HD23 ' B' ' 361' ' ' LEU . 12.0 m -147.07 103.67 3.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.491 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -74.98 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.845 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.78 -70.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.638 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 153.83 71.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.0 t 86.2 80.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -130.44 174.65 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -40.27 9.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -77.2 -111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.66 HG21 ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 176.77 151.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.512 ' H ' HD13 ' A' ' 6' ' ' ILE . 28.2 m -61.13 151.58 74.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.584 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -22.38 -51.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -43.81 -64.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.075 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.38 -34.75 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -70.57 -28.8 65.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' ALA . 70.8 m-20 -75.19 -32.52 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.5 tm? -67.14 -60.53 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.96 -34.45 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 29.8 ttt180 -75.3 -25.11 57.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.793 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -71.56 -36.56 70.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' B' ' 323' ' ' LEU . 1.7 mm? -66.6 -31.14 71.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 28.7 mmtt -52.34 -33.31 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -51.35 -175.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.3 p 90.48 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.636 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 159.75 -62.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.68 -51.46 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.669 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.8 tm0? -30.77 -61.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.3 pt20 -43.13 -49.93 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.4 mt-30 -72.31 -25.37 61.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.793 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.61 -51.17 37.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.85 -52.06 66.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.41 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -58.97 -60.35 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.42 -59.8 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -38.32 -34.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.3 mttm -61.77 -53.71 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ILE . 58.4 m -101.76 21.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 m-80 -121.92 89.47 48.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.434 1.755 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.8 tp60 -81.04 -15.29 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.66 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -78.9 -54.69 5.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 24.4 ptt? -57.04 -28.09 62.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.39 -44.82 45.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.623 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.5 -60.85 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.755 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 t80 -54.51 -56.71 16.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -46.96 -36.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.3 mmpt? -73.23 -32.73 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 mm-40 -71.76 -48.0 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.8 ptt180 -67.28 -43.37 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HA ' ' A' ' 46' ' ' LYS . 4.8 t -71.77 -26.33 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.54 -11.53 11.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.699 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -88.09 -27.44 21.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CD1' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.42 -52.54 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.09 -36.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -65.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -57.52 -47.87 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 pp0? -113.11 94.4 30.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.57 11.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.21 75.27 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.29 162.26 12.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.669 ' C ' HG12 ' B' ' 306' ' ' VAL . 9.0 t -150.78 118.49 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.39 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.722 HG23 ' HB1' ' B' ' 314' ' ' ALA . 0.2 OUTLIER 170.56 -32.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -10.47 5.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -104.45 -0.46 43.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.549 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -139.0 -63.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.617 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 37.6 t30 64.73 127.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.617 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 0.1 OUTLIER 146.4 160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 4.4 tt0 -32.82 -59.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -56.7 -46.13 81.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' B' ' 306' ' ' VAL . . . -54.84 -41.16 70.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -57.81 -43.32 85.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 320' ' ' VAL . 2.4 mt -71.7 -32.36 67.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' B' ' 321' ' ' SER . 4.1 mt-10 -63.59 -32.88 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.433 ' HB2' HG11 ' B' ' 306' ' ' VAL . 0.7 OUTLIER -73.99 -50.06 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.806 HD12 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -69.38 -56.78 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 316' ' ' LEU . 71.4 t -48.94 -54.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -50.42 -54.18 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.94 -30.79 70.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.1 mt -65.43 -48.01 74.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.74 -54.36 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -83.3 48.55 4.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.624 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.6 tppp? -44.42 130.71 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.99 -35.96 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.518 ' C ' ' HZ1' ' B' ' 342' ' ' LYS . 0.5 OUTLIER -61.21 -15.0 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.558 HG23 ' HA ' ' B' ' 336' ' ' ARG . 21.8 m -67.71 -32.46 73.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.05 -56.71 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.67 -50.8 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.92 52.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.83 -22.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' B' ' 332' ' ' ALA . 31.3 mt -77.57 -51.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.547 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 71.9 m-20 -63.82 -16.59 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.558 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.4 OUTLIER -44.02 -30.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -45.52 -48.0 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 1.026 HD12 ' OD2' ' B' ' 341' ' ' ASP . 13.4 mt -106.75 -13.8 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.7 -55.8 1.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -101.29 18.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 1.026 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.84 -19.2 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.614 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -83.27 -12.45 56.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.804 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.3 mm? -94.61 -15.11 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.535 ' HB ' ' CB ' ' B' ' 357' ' ' PRO . 2.2 t -100.14 -12.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.439 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 15.3 tt0 -36.94 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 142.04 145.11 4.45 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -145.36 -44.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -145.68 46.47 0.77 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.97 83.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.23 81.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 351' ' ' VAL . 13.7 m -134.52 88.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.668 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER 28.83 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.5 m 152.0 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -56.96 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' B' ' 338' ' ' LEU . 24.6 mt -68.92 63.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.782 HG21 ' O ' ' B' ' 359' ' ' GLY . 3.8 m -39.61 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.535 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.98 -3.94 14.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.13 -33.93 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.782 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 148.84 -68.72 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.434 ' C ' HD22 ' B' ' 361' ' ' LEU . 94.8 p -122.43 -61.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 60.02 102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -148.94 -173.9 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p -67.6 -154.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -156.85 152.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.692 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.5 m -60.83 153.9 61.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' GLN . 4.2 m -33.28 -38.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -44.1 -32.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.65 -43.58 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.598 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.25 -40.42 71.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' A' ' 40' ' ' LEU . 4.4 tt -67.08 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.53 -33.0 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttt180 -76.01 -32.94 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.7 m -56.75 -39.84 74.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -63.0 -29.73 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 13.3 mmtp -53.01 -34.0 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.636 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -52.26 -174.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.02 -36.76 2.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.621 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.94 82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.647 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.37 -63.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.94 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.1 mt-30 -59.84 -52.17 66.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.675 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -29.95 -61.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -42.22 -49.78 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.876 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.4 mt-30 -69.83 -53.04 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.29 -51.63 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -61.59 -33.63 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -57.83 -64.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.694 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -63.23 -59.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.506 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -40.5 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 33' ' ' ILE . 9.2 mttm -74.8 -54.44 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 68.8 m -95.11 18.88 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.969 ' HB3' HD12 ' A' ' 40' ' ' LEU . 20.8 m120 -151.16 92.77 3.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.74 -42.58 62.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.969 HD12 ' HB3' ' A' ' 37' ' ' ASN . 19.4 mt -63.19 -55.47 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ILE . 11.1 ttt -50.43 -41.75 53.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.52 -46.9 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.53 -55.62 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -56.0 -59.58 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -44.58 -50.81 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -63.26 -36.17 82.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.506 ' HB3' HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.125 HH21 HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.17 -51.42 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.675 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.2 t -66.07 -15.63 63.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -64.0 -7.63 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.3 tppm? -94.0 -24.98 17.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.904 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.82 -50.21 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.57 -38.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.78 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 m-20 -68.38 -52.96 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -112.51 95.73 33.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.9 28.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.81 -50.55 1.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.527 ' HA ' ' CG ' ' B' ' 318' ' ' GLN . 2.4 t -159.79 145.11 15.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 1.6 t -119.95 -33.95 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 306' ' ' VAL . 15.1 m -139.08 90.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 309' ' ' ARG . 0.7 OUTLIER -114.96 -136.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.484 ' N ' ' CG ' ' B' ' 307' ' ' GLU . . . -32.67 -33.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -44.94 -43.47 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 0.768 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.709 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 1.4 m-80 -111.62 -167.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 174.77 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.874 ' HA ' HD22 ' B' ' 315' ' ' LEU . 23.3 tt0 -46.72 -37.27 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.41 -30.92 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.709 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -76.62 -32.57 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.7 OUTLIER -57.84 -60.26 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.87 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.51 -50.47 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 15.3 mm-40 -43.06 -37.83 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.527 ' CG ' ' HA ' ' B' ' 304' ' ' THR . 5.6 tm0? -72.01 -45.72 59.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.44 -51.82 46.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.87 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.4 m -56.96 -40.82 74.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.7 m -59.12 -49.45 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.679 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -68.42 -32.31 72.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.727 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.9 mt -66.61 -47.37 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -54.29 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.46 56.09 2.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.84 124.36 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.29 -38.27 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -51.97 -20.89 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.746 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.6 m -53.36 -31.55 45.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.73 -60.35 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -51.46 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.66 53.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -45.83 -23.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -80.74 -52.25 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.568 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 2.2 m-20 -63.74 -15.43 58.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.1 ttt180 -43.99 -26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.36 -62.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.718 HD22 ' HD2' ' A' ' 51' ' ' LYS . 90.3 mt -95.22 -19.76 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.53 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 78.09 -6.44 49.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 1.125 HD13 HH21 ' A' ' 48' ' ' ARG . 2.3 pp -154.36 22.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.471 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 4.0 t70 -62.2 -12.74 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.94 -7.42 59.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.78 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.3 mm? -98.73 -41.43 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.676 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.8 p -74.87 -3.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.513 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 4.5 pt20 -44.83 -46.4 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' B' ' 345' ' ' GLN . . . 122.18 170.32 13.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -157.84 23.76 0.41 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 117.28 93.76 1.72 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 50.0 96.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.594 ' O ' HG22 ' B' ' 351' ' ' VAL . 4.0 t0 174.16 -158.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 22.4 m 47.57 -169.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.904 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.21 6.82 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 7.1 m 44.55 60.55 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.863 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -99.84 112.4 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.404 ' C ' HG22 ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.69 32.57 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.404 HG22 ' C ' ' B' ' 355' ' ' LEU . 11.7 m 40.31 80.74 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.665 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.06 6.74 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.72 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -130.3 -42.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.24 -45.92 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.603 ' C ' HD22 ' B' ' 361' ' ' LEU . 31.7 t -152.93 86.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.812 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.57 163.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -70.33 104.75 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m 54.98 -88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.751 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 179.31 150.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -55.34 129.74 68.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.767 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -10.11 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.76 -32.83 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -57.35 -59.26 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -41.01 -47.34 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.41 -42.42 91.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -63.99 -36.83 85.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' B' ' 319' ' ' LEU . 0.5 OUTLIER -59.91 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.8 -31.34 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 13.6 ttm180 -75.63 -20.98 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.626 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.4 m -79.27 -44.66 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -52.38 -20.52 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 4.0 mttt -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.82 -176.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.07 -33.46 4.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.55 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.82 86.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.624 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.08 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -95.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.0 mt-30 -62.74 -57.53 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.641 ' O ' HG13 ' A' ' 30' ' ' VAL . 13.8 tt0 -28.44 -62.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -39.85 -51.24 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.26 -28.19 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mt-30 -67.91 -53.7 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.4 m -56.87 -53.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.47 -32.07 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.9 m-20 -62.55 -64.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -59.96 -46.1 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -55.33 -28.87 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -84.89 -50.51 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -5.48 34.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.738 ' HB3' HD23 ' A' ' 40' ' ' LEU . 23.3 m-80 -152.18 105.44 2.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.542 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.98 -26.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 6' ' ' ILE . 1.2 mm? -78.34 -47.73 17.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.9 ttt -49.88 -47.6 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.14 -44.86 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -66.48 -62.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 10.6 t80 -54.35 -58.27 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.14 -41.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 7.1 mmmt -62.85 -38.49 91.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -68.34 -44.17 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.997 ' HD3' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -66.24 -37.47 85.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -74.74 -22.07 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.74 -11.85 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.77 ' HG2' HD11 ' B' ' 340' ' ' ILE . 57.5 tptt -89.22 -23.73 22.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -108.41 -53.33 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.95 -33.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.29 -55.72 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 m-20 -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.38 91.26 23.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.97 42.32 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.68 81.43 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.501 ' O ' ' N ' ' B' ' 306' ' ' VAL . 5.9 t -172.52 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.438 ' N ' HG23 ' B' ' 304' ' ' THR . 18.5 m 65.39 -68.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 304' ' ' THR . 17.2 t -71.13 60.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -96.37 -48.48 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -66.95 -12.71 60.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.436 ' HB3' ' CG1' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -100.52 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 45.6 t30 59.63 154.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.681 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 150.07 157.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 13.5 tt0 -35.37 -53.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.24 -42.57 96.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.681 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -57.43 -38.08 73.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 1.033 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -59.51 -51.35 70.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.975 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.7 OUTLIER -66.18 -42.35 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 51.7 mm-40 -59.21 -28.29 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.53 -50.79 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.863 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -78.22 -23.82 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 316' ' ' LEU . 55.3 t -72.56 -53.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 8.6 t -61.8 -40.26 94.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.666 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -64.93 -35.68 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.793 HD13 ' NH1' ' A' ' 48' ' ' ARG . 6.0 mt -69.26 -39.49 78.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -54.73 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.53 51.05 4.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.713 ' HZ1' HD23 ' B' ' 323' ' ' LEU . 3.0 tppt? -41.29 123.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.36 -40.14 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -46.5 -31.83 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.583 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.2 m -51.06 -30.01 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.2 -61.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.82 -48.91 77.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.874 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.68 51.94 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -51.82 -22.01 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -31.8 33.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.874 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.74 -17.1 57.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.583 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.2 mtm180 -35.49 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -40.04 -63.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.52 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.8 mm? -99.46 -21.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 76.6 -51.66 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.784 HG21 ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -113.48 23.0 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.557 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -54.04 -32.9 55.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 1.107 ' N ' ' HZ2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.69 -26.91 67.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.997 HD22 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -76.61 -48.74 18.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.1 p -71.45 -3.47 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' B' ' 344' ' ' VAL . 41.7 tt0 -33.6 -34.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 158.69 70.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -111.09 142.58 16.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 92.62 -56.72 2.66 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 7.2 tt -172.53 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -159.18 170.45 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -103.81 178.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.62 54.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.457 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 34.96 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 353' ' ' SER . 1.5 mtmm 54.97 105.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 356' ' ' VAL . 2.1 mm? 60.83 62.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.1 m -31.38 102.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.52 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 4.86 4.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.656 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.2 -42.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 124.07 87.62 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.8 OUTLIER 90.52 -72.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -90.56 103.38 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -144.56 146.56 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -62.83 -87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 178.74 141.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.434 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -53.72 143.16 40.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -63.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' GLN . 81.6 p -38.69 -38.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.91 -29.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' HG ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -64.3 -46.54 83.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.41 -32.95 73.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -39.86 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -65.08 -66.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -50.67 -31.14 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -77.18 -26.69 53.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.816 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -70.96 -36.46 72.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.9 mm? -69.04 -27.52 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 9.7 mmtp -53.19 -37.73 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.587 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.42 -177.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 -35.76 3.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.2 m 91.56 83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.98 -60.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -95.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' GLN . 36.6 mt-30 -63.0 -54.81 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tt0 -29.93 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.547 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.6 pt20 -40.51 -49.89 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -74.55 -27.99 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.816 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.8 mt-30 -69.15 -52.63 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.85 -52.73 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.37 -32.66 74.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -59.13 -54.89 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -76.07 -43.54 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -55.67 -30.17 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -90.81 -32.79 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -89.87 4.26 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.606 ' N ' ' O ' ' A' ' 33' ' ' ILE . 25.2 m-80 -158.77 109.43 1.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -59.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.575 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.8 tt0 -47.31 -23.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -84.14 -42.59 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.5 ttt -50.4 -55.59 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.63 -33.88 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -68.86 -61.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.804 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.8 t80 -60.92 -55.21 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.583 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -41.73 -51.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -62.51 -38.05 88.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.809 ' OE1' HG13 ' B' ' 320' ' ' VAL . 10.7 tp60 -63.07 -32.62 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.042 HH21 HD13 ' B' ' 323' ' ' LEU . 4.4 mmp_? -77.64 -45.4 25.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.686 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -70.98 -15.08 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -11.14 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.2 tppt? -93.5 -25.85 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.696 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -103.78 -48.5 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.49 -39.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.26 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.8 m-20 -64.16 -52.12 60.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -114.61 92.23 28.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.88 9.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -153.9 77.1 0.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.652 HG23 ' N ' ' B' ' 305' ' ' THR . 1.2 t -156.47 -165.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.652 ' N ' HG23 ' B' ' 304' ' ' THR . 3.4 p -154.98 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' B' ' 314' ' ' ALA . 63.0 t 68.83 6.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -45.19 143.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 84.92 -23.36 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.518 ' HB3' HG12 ' B' ' 306' ' ' VAL . 0.0 OUTLIER -99.28 -56.03 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 0.7 OUTLIER 55.41 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.783 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.7 OUTLIER 152.59 160.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.608 ' O ' HD23 ' B' ' 316' ' ' LEU . 2.6 tt0 -36.79 -53.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.563 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.2 OUTLIER -66.06 -36.54 83.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.783 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -64.55 -33.96 77.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 11' ' ' LEU . 10.3 mp -65.76 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.789 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -59.95 -29.53 68.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.6 mm-40 -68.74 -33.83 74.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -66.15 -46.18 78.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.854 HD13 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.46 -35.27 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.843 ' N ' HD13 ' B' ' 319' ' ' LEU . 23.1 t -64.06 -54.69 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.2 t -57.26 -45.72 83.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.047 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.522 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.54 -32.3 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 1.042 HD13 HH21 ' A' ' 48' ' ' ARG . 4.0 mt -72.27 -34.93 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -54.36 47.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.9 56.29 2.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.499 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -49.76 120.5 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.79 -36.01 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -46.55 -29.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.564 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.6 m -55.25 -31.44 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.51 -61.14 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.14 -42.45 98.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -81.36 48.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.62 ' HG3' HD22 ' B' ' 334' ' ' LEU . 6.8 pt-20 -52.47 -25.94 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.8 mm? -83.08 -50.41 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.801 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 12.9 t70 -68.7 -13.1 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.564 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.1 OUTLIER -37.66 -29.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -35.6 -52.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -110.41 -15.98 13.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 67.99 -56.67 0.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.887 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.7 pp -101.76 19.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.512 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 15.7 t70 -54.21 -15.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.677 ' HZ1' ' HB2' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.65 -25.27 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.887 HD13 ' HB ' ' B' ' 340' ' ' ILE . 5.4 mp -80.41 -32.66 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 357' ' ' PRO . 2.9 p -87.75 -4.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' B' ' 358' ' ' ARG . 1.3 tt0 -32.41 -45.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 158.81 117.13 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -126.9 -54.0 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 169.16 100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 42.64 85.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.6 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.937 HG22 ' H ' ' B' ' 353' ' ' SER . 2.5 p -179.51 134.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.726 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -61.08 -11.76 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.937 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.7 OUTLIER 57.54 -154.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.048 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.42 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.625 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.5 mt -77.41 57.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.647 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 1.5 m -19.5 99.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.566 ' HB2' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 8.57 2.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.772 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.4 tmt_? -131.74 -72.22 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.587 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 179.48 -37.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.3 t -160.37 80.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.788 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -117.43 90.65 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -153.7 146.58 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -69.75 -65.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.515 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.31 149.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' SER . 19.3 m -66.94 132.48 93.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 13.19 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 7' ' ' SER . 16.4 m -100.37 -11.84 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -81.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.911 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.17 -34.97 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' H ' HD22 ' A' ' 11' ' ' LEU . 64.9 mt-30 -67.79 -40.56 83.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.0 m-20 -72.5 -27.81 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CD2' ' A' ' 44' ' ' PHE . 13.7 tp -60.89 -64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.09 -37.5 74.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 ttt85 -66.37 -27.46 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.628 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' B' ' 322' ' ' PHE . 4.1 mt -47.74 -29.37 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.1 24.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.689 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.92 -171.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.689 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.616 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.78 81.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.635 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 164.35 -62.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -93.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 mm-40 -59.77 -52.25 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -29.09 -62.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.6 pt20 -40.76 -49.49 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.17 -29.99 62.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.628 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -69.13 -52.94 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -58.55 -53.29 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -61.49 -38.06 85.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -53.26 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.64 -49.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.73 HD12 ' NH2' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -47.25 -32.7 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.72 -25.93 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -85.19 -3.01 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.6 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.3 m-80 -164.13 112.49 0.93 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.515 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.0 tp-100 -45.28 -34.9 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD22 ' A' ' 14' ' ' LEU . 1.8 tm? -69.61 -47.16 64.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.652 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.1 ttt -55.51 -35.91 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.06 -36.28 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.92 -60.61 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.882 ' CD2' HD11 ' A' ' 14' ' ' LEU . 11.6 t80 -55.69 -54.79 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.43 -42.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -60.96 -40.88 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG2' HG23 ' B' ' 320' ' ' VAL . 9.4 mm-40 -68.88 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.73 ' NH2' HD12 ' A' ' 34' ' ' LEU . 9.0 mtm180 -62.91 -50.92 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.667 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -72.23 -19.99 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.38 -9.97 6.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE3' HD13 ' B' ' 338' ' ' LEU . 21.2 tptp -96.01 -24.57 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.777 ' CD1' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -104.79 -43.91 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -55.33 -25.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.24 13.2 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER 179.86 50.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm100 -124.53 111.15 27.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.09 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.22 -57.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.78 ' O ' HG22 ' B' ' 305' ' ' THR . 9.9 t -118.31 -55.54 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.78 HG22 ' O ' ' B' ' 304' ' ' THR . 14.7 t 51.69 35.43 15.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.789 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 9.8 m -144.76 -42.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -28.89 140.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 93.63 -31.04 6.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.564 ' CZ ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -106.72 -58.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 16.0 t30 60.07 153.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.611 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.7 m-20 152.65 157.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -38.92 -50.7 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.846 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.26 -36.62 84.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.846 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.98 -32.9 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -64.93 -60.99 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.428 ' O ' HG12 ' B' ' 320' ' ' VAL . 1.9 pp -61.88 -30.59 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' B' ' 320' ' ' VAL . 7.7 mm-40 -68.52 -29.28 67.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 17.4 tt0 -75.56 -45.8 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.984 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -66.66 -49.16 67.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.984 ' N ' HD13 ' B' ' 319' ' ' LEU . 9.9 p -57.98 -48.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.449 ' N ' HG13 ' B' ' 320' ' ' VAL . 42.2 t -60.27 -45.32 93.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.98 -30.91 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.779 HD21 ' CD2' ' A' ' 18' ' ' LEU . 9.4 mt -64.85 -47.85 76.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -39.63 57.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -107.88 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -41.22 136.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -33.68 16.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -47.08 -24.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 62.5 m -54.29 -28.06 39.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -63.73 -71.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -48.9 63.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.06 53.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.759 ' HB2' HH21 ' B' ' 336' ' ' ARG . 16.2 pt-20 -50.41 -22.11 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -33.55 31.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.881 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.36 -13.83 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.759 HH21 ' HB2' ' B' ' 333' ' ' GLU . 12.9 mtm180 -36.09 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -43.69 -62.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.682 HD13 ' HE3' ' A' ' 51' ' ' LYS . 30.3 mt -103.81 -21.35 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.422 ' C ' ' OD2' ' B' ' 335' ' ' ASP . . . 69.27 -51.45 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.737 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -101.11 20.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.638 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -67.1 -2.16 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.645 ' N ' ' HD2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -90.08 -50.41 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.852 HD12 ' N ' ' B' ' 344' ' ' VAL . 1.4 pp -59.81 -24.35 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.852 ' N ' HD12 ' B' ' 343' ' ' LEU . 2.5 p -94.33 -12.91 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' B' ' 344' ' ' VAL . 20.4 tt0 -30.84 -40.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 140.52 96.0 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -82.65 -45.6 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -131.73 48.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.3 mp 40.82 86.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 6.7 m-20 155.41 93.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.48 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -153.0 106.68 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.777 HD22 ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 39.99 -103.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.4 t 147.19 -53.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -39.33 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -69.05 64.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.631 HG13 ' O ' ' B' ' 353' ' ' SER . 1.1 m -38.26 98.59 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.622 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.02 4.29 4.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.674 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.69 -49.92 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 125.51 73.24 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 84.92 79.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.958 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.77 163.51 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.53 159.46 41.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.07 -154.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -158.95 152.71 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.494 ' H ' HD13 ' A' ' 6' ' ' ILE . 1.5 t -66.76 153.51 93.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -31.87 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.47 -56.2 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.97 -31.66 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.577 ' N ' HD22 ' A' ' 11' ' ' LEU . 6.0 mt-30 -74.39 -30.39 61.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.4 m-20 -77.15 -30.57 55.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -69.45 -64.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.019 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.85 -42.33 65.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 16.8 ttt180 -65.7 -41.16 92.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -53.83 -35.93 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.0 mm? -69.7 -24.08 63.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.4 mmtp -59.23 -34.14 71.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.43 -177.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -31.6 6.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.31 84.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.02 -102.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.34 -50.71 72.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.654 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -32.16 -60.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -41.71 -48.68 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.533 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 mt-30 -73.35 -28.44 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.81 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.7 mt-30 -67.16 -51.23 56.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -60.29 -54.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.23 -35.06 76.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.2 m-20 -58.87 -64.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.62 -60.62 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' A' ' 41' ' ' MET . 2.3 mt -36.69 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 mtmt -70.21 -53.91 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' ILE . 35.4 m -92.7 20.28 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 4.0 m-80 -142.21 86.2 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.4 Cg_endo -74.96 -79.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 23.0 tp60 -50.21 -22.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -83.68 -41.67 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.639 ' HA ' HD22 ' A' ' 34' ' ' LEU . 2.4 ttt -57.97 -27.26 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.91 -31.02 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB1' HG12 ' B' ' 320' ' ' VAL . . . -71.23 -61.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 14' ' ' LEU . 3.7 t80 -58.31 -53.6 56.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -46.17 -50.43 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.87 -42.3 89.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.52 -26.74 68.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.4 ttp180 -78.18 -49.01 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.639 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.3 t -78.27 -16.13 58.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.33 -11.8 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' CB ' HD11 ' B' ' 340' ' ' ILE . 0.8 OUTLIER -91.37 -27.71 18.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -101.82 -51.66 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.08 -30.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -58.04 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -88.62 18.29 4.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 mt-30 -124.11 92.92 47.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 104.74 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.34 -66.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' B' ' 307' ' ' GLU . 13.0 t -136.87 171.17 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 304' ' ' THR . 2.3 p -151.8 -52.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' B' ' 310' ' ' ASN . 13.2 t -118.23 -8.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.666 ' OE2' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -49.25 166.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 38.62 28.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' B' ' 307' ' ' GLU . 1.3 ttt180 -132.98 -66.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.706 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.5 OUTLIER -83.55 -163.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.8 175.85 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.784 ' HA ' HD22 ' B' ' 315' ' ' LEU . 9.8 tt0 -47.73 -36.49 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.55 -31.78 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.706 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -75.26 -32.38 61.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -59.91 -60.84 3.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -62.88 -51.28 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 31.3 mm-40 -39.59 -40.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.08 -44.88 62.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.816 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -65.57 -47.02 77.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -66.02 -38.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 14.5 t -63.39 -46.51 86.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.43 -33.97 73.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.0 mt -69.53 -35.86 75.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -53.95 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.2 44.4 3.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.558 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.1 tppt? -41.89 124.71 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -34.21 58.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -44.94 -27.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.525 HG23 ' HD3' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -50.34 -31.22 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.23 -68.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -49.07 74.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.99 48.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' B' ' 334' ' ' LEU . 12.4 pt-20 -55.95 -21.6 21.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' B' ' 333' ' ' GLU . 6.0 mp -80.95 -36.04 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.533 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.84 -12.79 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -32.66 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.539 ' HB3' HD22 ' B' ' 338' ' ' LEU . . . -42.28 -49.95 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.629 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -110.38 -21.82 12.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 66.66 -56.72 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.866 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -93.22 20.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HA ' HG12 ' B' ' 344' ' ' VAL . 1.2 t0 -54.15 -12.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.698 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -84.93 -21.86 29.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.7 mm? -84.55 -38.36 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.795 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.7 p -78.9 -3.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.58 -45.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 152.53 -109.94 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 94.95 -42.7 2.35 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -142.47 -93.44 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.438 HD12 ' O ' ' B' ' 349' ' ' LEU . 1.3 pp -163.12 79.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.95 81.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -160.3 116.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.809 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.47 -27.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.586 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER 76.28 62.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 132.68 38.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.86 12.32 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' B' ' 355' ' ' LEU . 3.4 m 40.32 92.84 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.795 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 5.46 3.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.748 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.12 -67.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.556 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 154.89 69.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 4.3 p 86.19 80.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.778 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -93.7 -58.75 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -108.42 -57.97 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -70.17 -149.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.738 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -161.56 141.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 3.4 m -69.02 143.48 94.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.903 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 10.93 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 13.8 m -101.49 -10.76 19.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.22 -62.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.911 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.43 -29.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.73 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.33 -40.99 64.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.6 m-20 -74.65 -29.57 61.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.95 -68.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -29.8 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -75.17 -23.79 57.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' HB2' ' A' ' 29' ' ' GLN . 2.3 m -75.97 -53.75 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' B' ' 343' ' ' LEU . 3.1 mm? -49.45 -26.05 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.2 mptm? -56.39 -37.43 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.4 -178.28 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -74.99 -33.06 4.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.536 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.08 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.23 -51.23 69.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.712 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.62 -59.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.568 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -41.86 -50.42 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -72.59 -26.61 61.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.777 ' HB2' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.87 -52.34 30.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.4 -52.56 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -60.11 -36.66 77.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.2 m-20 -58.8 -67.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.746 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.85 -60.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -39.71 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 33' ' ' ILE . 14.3 mttm -84.51 -53.93 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 49.5 m -78.1 1.3 21.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.1 m120 -145.73 101.96 4.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -55.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -52.57 -42.29 64.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.738 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -60.82 -52.74 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.88 -45.88 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.58 -46.09 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.01 -59.8 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.694 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.6 t80 -54.43 -57.33 11.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.787 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.01 -35.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.18 -50.11 67.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.855 ' HB2' HG23 ' B' ' 320' ' ' VAL . 18.8 tp60 -74.87 -13.0 60.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -95.71 -21.2 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.1 t -99.55 -17.66 17.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 -18.47 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CG ' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -82.24 -29.36 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.817 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -99.56 -59.59 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -39.7 -27.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -74.04 -65.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 24.6 p30 -64.75 -21.32 66.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.3 pt20 -127.95 85.51 60.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.43 17.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.65 88.19 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.987 179.962 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.952 -0.442 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.837 ' O ' HG23 ' B' ' 305' ' ' THR . 2.6 t -61.75 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.837 HG23 ' O ' ' B' ' 304' ' ' THR . 0.3 OUTLIER -167.95 76.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.803 HG21 ' HB1' ' B' ' 314' ' ' ALA . 9.8 p -177.79 -30.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -29.92 104.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 132.71 -29.48 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -100.0 -72.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.4 t-20 59.5 128.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.83 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.8 m-20 152.4 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 311' ' ' ASP . 11.7 tt0 -36.4 -57.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.894 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.91 -36.97 85.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.894 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.77 -33.39 75.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.609 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.6 mm? -63.93 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.7 pp -59.86 -25.92 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.648 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.5 mm-40 -73.8 -28.56 61.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -74.83 -46.79 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.914 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.92 -47.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.88 ' N ' HD13 ' B' ' 319' ' ' LEU . 4.0 p -62.12 -43.91 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.76 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.68 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.8 mt -63.73 -50.85 67.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -54.19 32.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.61 48.35 2.82 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.427 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.3 tppp? -40.69 121.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -36.95 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.4 tt0 -45.64 -26.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.557 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -52.07 -34.53 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.18 -44.8 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -48.47 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.4 50.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.13 -22.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -37.89 27.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.0 m-20 -79.14 -18.45 53.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.557 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.77 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.19 -58.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.544 HD12 ' CG ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -94.51 -18.12 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.64 -51.03 2.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.755 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.6 pp -111.81 15.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 1.2 t0 -49.09 -27.27 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -68.81 -28.51 66.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -75.92 -26.49 57.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.817 HG13 ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -89.41 -11.32 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.1 tm0? -32.61 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.469 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 162.18 -79.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 76.79 -62.68 3.2 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -152.56 39.08 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.6 tp 63.42 68.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.59 13.65 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 344' ' ' VAL . 0.9 OUTLIER -78.08 147.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.665 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.91 8.66 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.5 t 82.66 -58.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.945 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 131.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 51.56 68.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.368 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 356' ' ' VAL . 16.5 m -37.72 102.93 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.64 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.3 Cg_endo -74.89 -2.67 12.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.993 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.56 -43.57 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 120.12 91.17 1.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.69 65.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.4 157.52 22.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' ILE . 7.6 mmt85 -56.85 96.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 4' ' ' ARG . 7.5 p 53.84 -88.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.666 ' CD1' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -163.12 147.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 4.1 m -82.77 144.82 49.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.64 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.93 10.47 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 62.2 m -100.97 -10.06 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.69 -63.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.33 -29.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.586 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.8 tt0 -73.26 -40.52 64.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.9 m-20 -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 44' ' ' PHE . 2.4 tp -65.97 -68.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -30.19 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 1.4 ttt-85 -74.16 -27.22 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -72.1 -47.47 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.8 mm? -57.92 -28.6 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' B' ' 303' ' ' PRO . 2.4 mptp? -53.72 -34.43 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.65 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 p -52.56 -173.21 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -75.01 -35.35 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.646 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 m 87.61 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.76 -62.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.0 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 7.1 mt-30 -60.82 -52.02 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.728 ' O ' HG13 ' A' ' 30' ' ' VAL . 3.7 tm0? -29.44 -61.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.569 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.4 pt20 -41.01 -50.7 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.05 -27.84 61.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.827 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.7 mm100 -67.86 -52.25 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.29 -52.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.93 -32.75 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -60.03 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.33 -61.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' NH2' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -37.1 -35.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ILE . 6.0 mtmm -62.26 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 m -100.17 18.98 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -122.74 90.27 49.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.555 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 15.8 mt-30 -75.75 -15.88 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD12 HD22 ' A' ' 14' ' ' LEU . 2.7 mm? -86.32 -55.1 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -49.72 -49.44 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.95 -42.73 76.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -58.55 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.965 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.8 t80 -57.17 -56.04 26.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.43 -34.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -68.73 -47.3 66.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.704 HE21 HG13 ' B' ' 320' ' ' VAL . 8.8 tp-100 -73.57 -17.2 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.617 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -91.13 -31.27 16.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.613 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 14.8 t -88.51 -15.65 34.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -11.11 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.709 ' HG2' HD11 ' B' ' 340' ' ' ILE . 11.0 tppt? -89.5 -23.95 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.0 -45.38 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -22.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.42 16.39 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' TYR . 58.1 m-20 -143.51 -46.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.82 114.38 59.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.62 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.54 88.84 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' B' ' 318' ' ' GLN . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' B' ' 318' ' ' GLN . 0.6 OUTLIER -134.85 130.22 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.761 ' HA ' HH21 ' B' ' 309' ' ' ARG . 86.1 m -158.27 49.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.921 HG13 ' HB1' ' B' ' 314' ' ' ALA . 0.4 OUTLIER 175.85 -28.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' B' ' 315' ' ' LEU . 37.9 tt0 -43.87 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.41 ' C ' ' HD2' ' B' ' 309' ' ' ARG . . . -78.07 44.64 2.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.761 HH21 ' HA ' ' B' ' 305' ' ' THR . 0.3 OUTLIER -136.24 -41.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.737 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -109.16 -162.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 171.41 14.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.721 ' HA ' HD22 ' B' ' 315' ' ' LEU . 28.5 tt0 -45.23 -39.52 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -51.78 -29.79 20.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.921 ' HB1' HG13 ' B' ' 306' ' ' VAL . . . -76.43 -28.36 56.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -64.83 -59.07 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.833 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.32 -35.38 80.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.4 mm-40 -68.12 -31.93 71.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' B' ' 303' ' ' PRO . 7.2 tp60 -67.89 -47.1 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.87 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -74.47 -34.0 63.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.833 HG23 ' O ' ' B' ' 316' ' ' LEU . 38.5 t -65.88 -54.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.0 t -58.91 -41.3 86.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -34.0 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' B' ' 323' ' ' LEU . 5.3 mt -66.25 -50.25 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -50.65 64.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.49 44.59 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 125.23 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.11 -41.08 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -45.29 -26.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -33.25 21.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.36 -53.15 61.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.41 -50.13 13.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.41 50.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.77 -22.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.16 -42.92 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' B' ' 337' ' ' ALA . 17.7 m-20 -76.22 -15.91 59.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -27.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.51 -60.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' B' ' 341' ' ' ASP . 2.3 mt -96.18 -19.15 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.418 ' C ' HG23 ' B' ' 340' ' ' ILE . . . 78.93 -6.55 55.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.748 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.2 pp -152.86 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.45 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -53.34 -28.08 26.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -21.99 63.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 323' ' ' LEU . 0.1 OUTLIER -80.87 -31.47 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -83.79 -8.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.0 tt0 -34.04 -36.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 145.18 104.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -149.4 -54.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 348' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' B' ' 350' ' ' ASP . . . -87.23 93.44 1.89 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 15.7 tp 65.58 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 348' ' ' GLY . 38.2 m-20 -170.58 151.26 3.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.578 HG22 ' N ' ' B' ' 352' ' ' LEU . 3.1 p -45.2 169.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.657 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -91.9 25.44 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.7 -66.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 355' ' ' LEU . 10.1 ttmt -40.23 126.17 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 354' ' ' LYS . 4.2 mm? 58.91 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.84 95.42 33.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.5 Cg_endo -74.95 4.35 4.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.906 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -131.03 -42.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.555 ' H ' HD11 ' B' ' 361' ' ' LEU . . . 119.4 73.75 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.602 ' C ' HD12 ' B' ' 361' ' ' LEU . 1.7 t 87.28 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.906 HD21 ' HB2' ' B' ' 358' ' ' ARG . 1.7 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -149.87 97.55 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD2' ' CA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -81.32 169.29 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -45.67 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.69 HG13 HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 173.8 143.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 9' ' ' SER . 12.1 m -69.02 136.44 89.55 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.621 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 12.5 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 7' ' ' SER . 19.7 m -101.73 -10.74 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.44 -63.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.777 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.32 -29.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.584 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.8 mm-40 -73.8 -40.26 63.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 10' ' ' ALA . 19.9 m-20 -73.11 -32.35 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.993 HD23 ' HG ' ' B' ' 319' ' ' LEU . 4.4 tp -66.89 -66.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.84 -34.15 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 2.1 ttm180 -74.44 -27.99 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -69.65 -43.99 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 3.0 mm? -61.19 -28.38 69.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -52.55 -35.72 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.582 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.92 -177.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 t 88.94 83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.01 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -100.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -61.61 -50.46 72.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.5 tm0? -32.19 -58.55 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.6 pt20 -42.43 -50.03 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.3 -25.34 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.842 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.9 mm100 -67.74 -47.52 69.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -63.46 -51.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -35.92 82.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 10.9 m-20 -57.31 -58.84 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.892 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.68 -60.38 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD13 HG13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -36.79 -34.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.6 mttt -63.52 -52.81 59.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -97.56 16.17 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -122.65 91.21 49.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 1.1 tp-100 -73.52 -15.16 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD22 HG13 ' A' ' 6' ' ' ILE . 1.6 mm? -82.95 -54.8 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' ILE . 19.1 ttt -50.93 -44.32 60.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -51.35 -42.56 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -59.5 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.5 t80 -57.33 -58.21 9.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.24 -50.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.47 -36.74 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.001 ' CD ' HD13 ' B' ' 343' ' ' LEU . 0.6 OUTLIER -78.01 -47.62 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.614 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.6 t -61.58 -24.63 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.454 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.6 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.866 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -91.1 -28.88 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.698 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.09 -42.67 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -57.19 -37.97 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.9 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -102.0 -42.07 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -123.06 96.22 45.03 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.28 70.77 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 111.041 179.969 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 9.1 t -151.0 151.66 32.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 9.2 t -139.53 22.41 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' B' ' 314' ' ' ALA . 32.3 m -132.03 6.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.95 -33.2 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -78.7 4.87 59.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.558 ' NH1' ' HZ1' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -131.35 -59.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.546 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.7 t-20 64.14 144.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.815 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 152.2 166.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.9 OUTLIER -38.64 -60.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.622 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -60.95 -33.05 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.815 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -67.67 -33.48 75.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.746 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mm? -64.8 -61.35 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -60.44 -31.65 70.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.9 mm-40 -68.95 -31.88 71.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.993 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.53 -35.56 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.858 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -63.26 -55.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.2 t -57.15 -44.56 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.3 -31.76 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.991 HD13 HH21 ' A' ' 48' ' ' ARG . 5.3 mt -68.83 -44.4 73.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -52.61 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.44 58.01 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER -46.84 121.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.02 -37.57 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.49 -22.43 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 28.0 m -50.75 -24.91 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.6 -49.75 69.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -53.41 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -79.99 52.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -50.1 -22.93 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.45 ' C ' HD13 ' B' ' 334' ' ' LEU . 1.7 tm? -81.92 -52.05 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.3 OUTLIER -69.89 -14.61 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.59 ' HA ' HG23 ' B' ' 329' ' ' THR . 75.2 ttt180 -39.87 -27.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.23 -49.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.866 HD13 ' HE3' ' A' ' 51' ' ' LYS . 8.7 mt -103.02 -23.67 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.771 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.17 -1.75 31.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.89 ' CG2' HD21 ' B' ' 343' ' ' LEU . 1.7 pp -161.36 25.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -70.24 -5.92 31.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.47 -51.67 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 1.001 HD13 ' CD ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -60.18 -12.89 9.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 340' ' ' ILE . 6.5 t -101.18 -13.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 20.0 tt0 -29.85 -44.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 162.61 133.09 1.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -157.52 58.3 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 94.72 46.17 2.99 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.6 mp 46.94 69.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -138.04 25.75 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.519 HG23 ' H ' ' B' ' 353' ' ' SER . 1.1 m -100.48 134.07 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.753 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -40.33 -28.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 88.75 -51.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 356' ' ' VAL . 4.8 tttt -49.21 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -69.66 64.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.592 HG12 HD23 ' B' ' 361' ' ' LEU . 6.9 m -33.75 98.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.02 2.99 6.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.862 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -124.5 -57.84 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.622 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 137.45 74.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 84.63 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.64 132.96 37.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.39 -173.79 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 p -78.27 -164.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.95 166.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 6' ' ' ILE . 75.2 m -85.73 156.31 58.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -72.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.626 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.9 p -18.96 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -39.83 -49.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.029 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.6 -46.88 58.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.934 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.2 mt-30 -66.09 -30.77 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -35.37 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -68.15 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.03 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.04 -34.37 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 13.2 ttm-85 -76.0 -28.04 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.748 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -73.28 -34.18 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -67.37 -26.85 66.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -56.89 -32.06 65.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.631 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.63 -174.88 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -35.8 2.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.64 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.9 p 87.17 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.07 -62.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.96 -97.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -60.58 -49.9 75.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 tm0? -31.64 -60.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.0 pt20 -40.97 -49.22 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.2 -28.61 62.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.748 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -70.31 -54.74 11.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.88 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -55.27 -49.08 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.24 -32.05 73.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.6 m-20 -59.97 -56.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.42 -46.1 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.26 -30.73 60.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.86 -34.62 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ASN . 18.9 m -79.91 -4.08 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.848 ' HB2' HD22 ' A' ' 40' ' ' LEU . 1.6 m-80 -158.54 108.15 1.65 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -70.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.2 tp60 -43.21 -26.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.15 -44.33 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.618 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.46 -28.3 63.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 45' ' ' ILE . . . -60.39 -38.83 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.73 61.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HE2' HD21 ' A' ' 18' ' ' LEU . 3.0 t80 -69.05 -56.85 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.83 -46.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -71.15 -35.08 71.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' HA ' ' NE2' ' A' ' 47' ' ' GLN . 1.5 tp60 -66.17 -44.42 84.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 4.3 ptt180 -72.4 -40.52 67.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' LYS . 2.2 t -72.46 -18.95 61.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.45 -13.29 12.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.88 ' HG2' HD11 ' B' ' 340' ' ' ILE . 4.6 tppt? -91.12 -31.99 16.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.965 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.5 -50.25 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.47 -27.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -44.63 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.526 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -103.82 18.79 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.6 mt-30 -126.44 97.09 34.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.81 -84.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.412 ' O ' ' HB ' ' B' ' 304' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.628 ' O ' HG12 ' B' ' 306' ' ' VAL . 3.1 t -177.34 -40.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 40.89 40.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.628 HG12 ' O ' ' B' ' 304' ' ' THR . 7.8 p -169.89 44.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -89.15 -17.8 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -97.58 19.56 54.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -135.52 -64.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 7.8 t-20 61.49 139.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.746 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.8 m-20 153.75 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -38.95 -57.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.744 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.1 -35.9 78.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.746 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.96 -33.81 76.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.585 HD12 ' CD1' ' A' ' 11' ' ' LEU . 4.2 mm? -64.36 -60.93 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.6 pp -60.68 -31.94 71.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.9 mm-40 -68.23 -30.03 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.99 -47.03 66.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -71.83 -50.05 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 1.018 ' N ' HD13 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -57.93 -39.04 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 12.1 t -62.19 -52.48 63.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.628 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.03 -29.71 67.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' A' ' 18' ' ' LEU . 8.4 mt -66.88 -49.11 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -53.24 38.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.956 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -90.07 50.79 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.774 ' HB2' HG22 ' B' ' 340' ' ' ILE . 0.3 OUTLIER -41.2 119.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -27.02 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -24.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.642 ' HA ' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -62.23 -30.61 71.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.6 -44.32 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -49.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.437 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -78.92 55.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.92 -23.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -80.73 -49.54 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.437 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.9 OUTLIER -61.06 -15.51 33.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -49.56 -20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -36.52 -62.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' B' ' 341' ' ' ASP . 74.7 mt -96.63 -17.59 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 88.06 -28.94 5.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.88 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -132.71 8.58 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.33 -18.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.642 ' HZ1' ' HA ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.51 -9.17 59.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -100.88 -15.07 17.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.926 ' N ' HD23 ' B' ' 343' ' ' LEU . 1.3 p -113.07 -3.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.3 mt-30 -28.87 -46.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 122.16 -152.84 16.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 161.14 -27.01 0.28 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -173.7 -92.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.32 95.56 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.591 ' O ' ' O ' ' B' ' 351' ' ' VAL . 1.3 t0 -174.12 -157.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.796 HG23 ' CG2' ' B' ' 344' ' ' VAL . 4.2 p 48.37 169.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.965 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -84.66 14.55 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 354' ' ' LYS . 16.9 t 62.94 -72.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' B' ' 352' ' ' LEU . 6.2 tttt -45.35 172.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 2.7 mp 42.73 58.37 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 356' ' ' VAL . 17.2 m -37.38 98.25 0.15 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.464 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.94 1.05 8.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.761 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.69 -45.11 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 144.49 -41.77 1.07 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.554 ' C ' HD22 ' B' ' 361' ' ' LEU . 96.2 p -160.31 93.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.804 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -166.31 141.9 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -48.46 165.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -47.01 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.704 HG13 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 175.6 147.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 9' ' ' SER . 25.0 m -79.82 137.95 54.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.624 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 12.65 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 7' ' ' SER . 76.9 p -102.56 -10.5 19.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -85.7 -63.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.69 -28.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' H ' HD22 ' A' ' 11' ' ' LEU . 6.7 mt-30 -74.58 -41.14 61.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.36 -35.57 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -65.46 -68.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.737 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -50.12 -29.92 10.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 10.6 ttm180 -75.84 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -67.64 -44.22 78.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -55.15 -25.01 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 6.4 mmtt -54.89 -37.87 66.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.35 -176.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -34.6 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.588 ' CB ' ' NE2' ' A' ' 26' ' ' GLN . 4.5 p 89.07 82.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.92 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -96.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.53 -54.88 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.71 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tt0 -29.47 -60.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.8 pt20 -40.78 -50.62 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.1 mt-30 -73.73 -26.33 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mm100 -68.89 -50.52 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.78 -52.0 66.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.49 -32.7 74.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -59.63 -59.87 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.1 -59.42 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -37.75 -34.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 4.1 mttt -64.18 -52.09 60.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 33' ' ' ILE . 65.0 m -96.91 16.76 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 1.9 m-80 -127.82 90.74 47.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' HG13 ' A' ' 6' ' ' ILE . 1.2 tt0 -65.86 -18.2 65.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -85.28 -55.46 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -48.95 -48.96 42.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.16 -44.33 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -60.47 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HD2' HD23 ' A' ' 14' ' ' LEU . 5.3 t80 -52.81 -56.42 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.98 -41.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -62.47 -35.95 80.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.656 ' OE1' HG13 ' B' ' 320' ' ' VAL . 35.7 tp60 -76.98 -26.33 53.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.773 HH11 HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -76.18 -41.1 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.64 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.3 t -83.36 -18.7 37.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -59.03 -13.57 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.9 OUTLIER -85.8 -24.4 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.7 -53.63 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.53 -39.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.73 70.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -88.39 -12.85 42.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.5 mm-40 -112.15 95.95 32.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.79 38.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.28 61.91 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.897 ' O ' HG23 ' B' ' 305' ' ' THR . 13.3 t -74.55 -166.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.897 HG23 ' O ' ' B' ' 304' ' ' THR . 0.2 OUTLIER -170.48 46.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' B' ' 309' ' ' ARG . 12.4 p -175.34 45.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.35 -41.96 16.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -79.49 12.06 28.95 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.67 ' CZ ' ' HZ3' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -127.36 -59.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.798 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.693 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 35.6 t30 57.87 163.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.778 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.8 t70 137.92 161.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.6 pt-20 -37.56 -59.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.67 ' HZ3' ' CZ ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -61.36 -31.84 71.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.778 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -68.25 -32.44 72.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.634 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.3 mm? -66.97 -62.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.776 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.3 -25.19 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 25.6 mm-40 -73.48 -35.83 65.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.675 ' HG3' ' N ' ' B' ' 319' ' ' LEU . 0.9 OUTLIER -67.26 -36.26 81.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.675 ' N ' ' HG3' ' B' ' 318' ' ' GLN . 0.1 OUTLIER -84.1 -35.27 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 316' ' ' LEU . 11.6 t -64.07 -50.13 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -47.33 77.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -57.87 -32.46 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.773 HD13 HH11 ' A' ' 48' ' ' ARG . 6.0 mt -72.29 -46.51 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -53.93 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.52 51.5 4.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.0 OUTLIER -42.44 125.41 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.57 -32.33 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.05 -31.36 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -51.12 -27.47 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.84 -71.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.674 HD12 ' N ' ' B' ' 332' ' ' ALA . 3.9 pp -67.64 -30.98 70.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.674 ' N ' HD12 ' B' ' 331' ' ' LEU . . . -80.56 50.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.4 -22.8 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.3 OUTLIER -79.22 -51.98 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.5 ' CG ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.43 -15.57 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.1 OUTLIER -36.56 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.79 -63.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.9 -19.08 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.504 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 74.64 -5.1 31.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.74 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.3 pp -156.45 22.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.475 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.6 OUTLIER -57.37 -24.79 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.5 ' NZ ' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -74.11 -18.04 60.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -84.95 -41.91 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.841 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.7 p -80.36 -4.85 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.2 mt-30 -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 165.94 100.22 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -94.9 -133.98 7.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -89.56 -73.82 1.28 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.5 67.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 43.5 -161.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.836 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -145.45 -108.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.34 107.62 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER -59.68 -149.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.13 -88.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 353' ' ' SER . 6.9 mt -77.18 56.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -38.23 102.11 0.24 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.841 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.02 -0.13 9.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.782 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -115.43 -42.78 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.09 -45.99 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.634 ' C ' HD22 ' B' ' 361' ' ' LEU . 12.0 t -154.8 93.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.819 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.81 95.95 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.37 150.37 21.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -56.66 -74.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -153.57 151.12 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.537 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.4 m -54.68 146.16 36.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.604 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 -78.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLN . 87.3 p -36.09 -39.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.63 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -41.18 -31.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -66.51 -50.1 64.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.592 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -63.84 -29.89 71.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -35.26 67.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.015 ' CD2' HD21 ' A' ' 40' ' ' LEU . 1.6 tp -67.95 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.96 -37.4 44.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 8.4 ttm-85 -72.85 -32.34 65.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.39 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.971 HD21 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mt -75.88 -28.9 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -54.48 -22.24 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -60.36 -175.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -34.18 4.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 23' ' ' SER . 2.4 m 86.96 89.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 156.31 -60.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.94 -102.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 33.8 mt-30 -62.93 -51.31 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -31.09 -59.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.12 -50.11 4.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.96 -27.29 61.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.7 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.5 mm100 -68.65 -52.61 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.24 -53.45 47.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.08 -35.28 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 3.9 m-20 -57.66 -68.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -56.28 -63.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.56 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ILE . 9.3 mtmt -81.23 -51.15 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -80.36 4.64 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.777 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -150.66 90.27 4.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.02 -77.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 39' ' ' GLN . 4.4 tp-100 -43.96 -23.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.015 HD21 ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -46.88 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.55 -24.77 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.67 -45.45 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' B' ' 316' ' ' LEU . . . -63.86 -60.62 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' HD21 ' A' ' 18' ' ' LEU . 1.6 t80 -53.89 -56.28 19.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -47.73 -35.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.797 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 4.5 mmpt? -74.67 -32.5 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -71.73 -47.55 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 5.3 ptt180 -69.0 -42.11 76.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.9 t -75.19 -20.33 59.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.84 -9.66 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.723 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -90.14 -24.68 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 1.046 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -109.04 -52.88 2.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.64 -34.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 16.6 m-20 -54.3 -43.5 71.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 92.03 32.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 165.07 32.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' MET . . . 169.63 -63.13 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 1.2 t -176.68 158.22 1.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' B' ' 306' ' ' VAL . 0.5 OUTLIER -112.79 173.62 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.545 HG23 ' N ' ' B' ' 307' ' ' GLU . 22.5 m 39.68 -141.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.545 ' N ' HG23 ' B' ' 306' ' ' VAL . 0.0 OUTLIER 76.35 157.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 32.41 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' B' ' 307' ' ' GLU . 1.2 ttm180 -145.72 -50.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.556 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 0.8 OUTLIER -90.12 -83.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.4 ' H ' ' HB3' ' B' ' 314' ' ' ALA . 1.2 t0 -173.96 -154.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.775 ' HA ' HD22 ' B' ' 315' ' ' LEU . 3.0 tt0 -61.46 -53.89 50.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.87 -32.92 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.582 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -74.6 -34.77 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.0 OUTLIER -62.69 -46.46 88.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.823 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -77.33 -50.35 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 4.2 mm-40 -39.11 -48.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.709 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.3 OUTLIER -65.11 -43.8 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.97 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.823 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -55.38 -36.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.5 m -57.93 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.19 -32.67 71.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 18' ' ' LEU . 9.0 mt -64.77 -44.31 90.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -47.68 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.36 46.79 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.517 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.2 tppp? -42.33 122.63 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -35.81 73.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.31 -27.97 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.616 HG23 ' HA ' ' B' ' 336' ' ' ARG . 7.5 m -53.9 -27.94 33.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.56 -56.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -46.52 58.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.58 54.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 11.4 pt-20 -51.74 -20.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.84 -32.33 27.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.34 -15.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.9 OUTLIER -36.15 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -47.22 -62.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.723 HD23 ' CG ' ' A' ' 51' ' ' LYS . 5.6 mp -94.59 -22.81 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.518 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 65.82 6.42 30.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -156.2 22.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.411 ' OD2' ' HA ' ' B' ' 357' ' ' PRO . 2.0 t0 -46.49 -23.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.04 -42.92 68.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 18' ' ' LEU . 2.8 mp -67.02 -12.35 59.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 1.046 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -100.51 -15.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.2 tt0 -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 160.42 140.47 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -171.4 122.13 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 94.93 -54.25 1.9 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.01 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.461 ' O ' HG13 ' B' ' 351' ' ' VAL . 3.7 p-10 -141.82 -160.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.763 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -157.91 124.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.904 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER 15.71 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.436 ' H ' HD23 ' B' ' 352' ' ' LEU . 2.4 p 165.53 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 137.28 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.17 72.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.609 HG12 HD23 ' B' ' 361' ' ' LEU . 2.1 m -41.83 103.96 0.33 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.99 4.66 4.54 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.2 ttp85 -122.13 -49.91 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 148.74 -39.09 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.433 ' C ' HD22 ' B' ' 361' ' ' LEU . 55.6 p -162.33 87.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.822 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -149.8 156.45 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -56.51 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p -95.99 -141.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -145.97 140.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.42 128.57 32.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 1.087 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 3.61 5.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -102.05 -11.29 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.702 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -79.53 -59.19 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.087 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -41.97 -29.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.751 ' H ' HD22 ' A' ' 11' ' ' LEU . 55.3 mt-30 -70.18 -40.85 74.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.2 m-20 -71.88 -28.55 63.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' A' ' 44' ' ' PHE . 9.2 tp -65.6 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' CD ' ' B' ' 318' ' ' GLN . 0.0 OUTLIER -50.79 -33.28 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 39.9 ttt180 -75.74 -27.74 58.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.771 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.1 m -68.42 -44.81 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.795 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -56.9 -28.96 62.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' B' ' 322' ' ' PHE . 29.0 mmtt -53.2 -29.64 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.68 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -53.54 -172.34 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.96 71.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 175.2 -63.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -98.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.6 mt-30 -54.6 -51.8 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.782 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.5 tp-100 -26.6 -62.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -43.79 -49.35 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.14 -31.28 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.771 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.8 mm100 -66.36 -53.61 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -58.01 -54.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.58 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.28 -32.99 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -59.83 -68.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.14 -53.22 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.5 mt -47.05 -29.27 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.8 mttm -81.05 -49.54 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 0.52 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 1.052 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -155.86 109.02 2.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.38 -41.5 13.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.052 HD12 ' CB ' ' A' ' 37' ' ' ASN . 18.5 mt -59.63 -54.66 43.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -47.93 -43.78 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.81 -43.63 81.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.25 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 14' ' ' LEU . 19.5 t80 -57.22 -55.78 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.62 -40.03 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -62.33 -48.12 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.909 ' HG2' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -74.16 -18.23 60.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.585 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -86.57 -31.29 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.619 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 10.5 t -89.61 -16.54 30.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.66 -13.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HG3' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -88.95 -34.36 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.977 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -97.56 -50.46 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.93 -41.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.29 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -58.49 -49.97 75.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -113.67 93.04 26.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 121.89 6.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.98 90.01 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.51 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.446 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.573 HG23 HG22 ' B' ' 306' ' ' VAL . 13.7 t -94.1 152.9 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.573 HG22 HG23 ' B' ' 305' ' ' THR . 31.2 m 36.57 -141.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 307' ' ' GLU . 0.0 OUTLIER 72.09 135.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.359 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.33 67.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -128.74 -67.88 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.93 -76.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 9.0 t70 -177.37 -174.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -43.81 -55.74 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.531 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.15 -28.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -77.57 -35.49 53.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -60.94 -59.32 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 1.045 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.12 -47.69 84.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 32.7 mm-40 -45.91 -40.25 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.726 ' CD ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.26 -43.98 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.707 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.47 -59.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 1.045 HG12 ' O ' ' B' ' 316' ' ' LEU . 1.3 p -53.42 -39.34 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.7 t -59.49 -41.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.4 -32.68 62.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.1 mt -59.48 -45.24 92.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.9 -51.95 53.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.32 50.97 3.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.476 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.93 122.24 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -36.69 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -47.88 -29.67 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.409 HG21 ' NH1' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -51.46 -25.61 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -56.64 -68.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -49.87 74.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.677 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.79 51.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -48.49 -23.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -48.77 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.677 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 70.8 m-20 -61.1 -15.36 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' B' ' 336' ' ' ARG . 1.0 OUTLIER -39.56 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.9 -62.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' B' ' 341' ' ' ASP . 53.0 mt -88.93 -29.99 19.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.11 -12.47 24.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.786 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.2 pp -148.17 16.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.75 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.71 -25.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.428 ' HE2' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -66.66 -33.47 75.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.495 ' N ' HD22 ' B' ' 343' ' ' LEU . 2.6 mm? -80.11 -21.04 43.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.977 HG13 ' CE1' ' A' ' 52' ' ' TYR . 3.2 t -86.38 -10.35 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.412 ' HA ' ' C ' ' B' ' 357' ' ' PRO . 7.5 pt20 -38.48 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . -173.93 121.92 0.87 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -112.31 -89.25 1.83 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -145.44 -44.24 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.667 ' H ' HD13 ' B' ' 349' ' ' LEU . 0.0 OUTLIER -91.87 37.81 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.501 ' O ' HG22 ' B' ' 351' ' ' VAL . 5.2 m-20 52.3 58.95 4.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.805 HG23 ' H ' ' B' ' 353' ' ' SER . 3.9 m 43.27 -169.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.757 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.23 -13.47 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.805 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.4 t 88.29 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 102.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.6 mp 67.21 89.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.9 m -37.88 102.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.459 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.05 3.14 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.715 ' CB ' HD11 ' B' ' 361' ' ' LEU . 1.5 ttp85 -122.11 -44.51 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.43 -43.19 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.582 ' C ' HD22 ' B' ' 361' ' ' LEU . 11.4 t -155.53 91.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.822 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -87.84 166.35 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 141.41 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -81.5 -155.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.5 161.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.591 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.8 m -74.23 142.68 79.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -60.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 57.7 p -38.25 -37.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -43.1 -32.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.623 HD12 ' OE1' ' B' ' 318' ' ' GLN . 0.2 OUTLIER -63.35 -46.8 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -62.71 -31.64 72.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.94 -38.78 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' B' ' 319' ' ' LEU . 1.3 tp -60.92 -67.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.07 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.34 -38.07 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 4.3 ttm180 -61.22 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.762 HG22 ' OE1' ' A' ' 26' ' ' GLN . 1.3 m -69.34 -51.07 40.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.849 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 7.0 mmtt -52.93 -31.88 42.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.667 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.58 -173.08 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.589 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 88.1 79.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 167.07 -62.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -96.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -58.01 -53.0 63.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.762 ' OE1' HG22 ' A' ' 17' ' ' THR . 1.5 tp-100 -27.85 -62.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -41.45 -49.89 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.37 -27.72 60.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.721 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.4 mm100 -70.98 -53.69 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -57.04 -50.66 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.75 -31.1 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -59.23 -53.48 57.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -76.52 -42.71 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -57.4 -30.49 64.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.3 ptpt -90.6 -31.0 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.468 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 18.4 m -88.76 1.7 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.858 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.5 m-80 -160.37 114.28 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.07 -40.04 14.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.7 mm? -60.95 -51.09 70.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.567 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.5 ttt -50.56 -46.37 57.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.75 -40.12 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -62.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.7 t80 -57.39 -56.19 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.36 -49.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.01 -41.39 92.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 3.6 mm-40 -61.66 -45.05 95.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 6.8 mtp180 -63.79 -49.66 72.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -66.7 -25.14 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -7.9 10.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' HD11 ' B' ' 340' ' ' ILE . 2.3 tppt? -93.98 -23.29 18.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.4 -45.11 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.39 -24.45 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.48 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.15 49.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -121.47 112.02 32.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 98.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.7 70.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.851 ' O ' HG23 ' B' ' 305' ' ' THR . 8.9 t -64.01 -153.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.851 HG23 ' O ' ' B' ' 304' ' ' THR . 0.8 OUTLIER -164.84 150.41 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.76 HG22 ' N ' ' B' ' 307' ' ' GLU . 0.2 OUTLIER 47.64 -77.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.76 ' N ' HG22 ' B' ' 306' ' ' VAL . 9.3 pt-20 48.27 -139.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 308' ' ' GLY . . . . . 0.723 ' HA2' HD21 ' B' ' 315' ' ' LEU . . . -28.9 -39.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -41.25 -47.39 3.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.683 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 1.3 m-20 -93.83 -165.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -174.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.618 ' HA ' HD23 ' B' ' 315' ' ' LEU . 12.0 tt0 -58.64 -37.61 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -53.01 -31.34 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -72.57 -35.15 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.723 HD21 ' HA2' ' B' ' 308' ' ' GLY . 3.8 mm? -59.96 -59.56 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.965 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.23 -38.33 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.671 ' HA ' HG22 ' B' ' 320' ' ' VAL . 3.9 mm-40 -53.15 -38.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.623 ' OE1' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -64.82 -45.58 85.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.36 -56.18 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.965 HG13 ' O ' ' B' ' 316' ' ' LEU . 2.3 m -53.5 -38.53 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 13.5 t -60.88 -53.76 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.854 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.35 -30.29 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.849 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.5 mt -66.38 -44.02 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -48.54 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -96.98 50.43 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.411 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.5 tppp? -40.62 125.43 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.54 -25.94 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.36 -32.25 64.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -51.02 -33.06 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.62 -75.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.51 -52.8 43.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.22 51.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 333' ' ' GLU . . . . . 0.451 ' HG3' HD22 ' B' ' 334' ' ' LEU . 11.8 pt-20 -50.77 -22.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -78.76 -31.4 46.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.593 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 1.1 p-10 -73.38 -16.21 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.462 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.2 OUTLIER -36.6 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.17 -63.28 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.538 HD23 ' CG ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -107.04 -13.05 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.424 ' O ' ' OD2' ' B' ' 335' ' ' ASP . . . 71.78 -53.97 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.736 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -109.24 21.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -52.93 -15.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -84.64 -30.14 25.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.541 HD23 ' HB ' ' B' ' 340' ' ' ILE . 3.4 mm? -75.17 -29.9 60.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.5 p -92.27 -4.71 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' B' ' 344' ' ' VAL . 61.4 tt0 -36.14 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 142.98 -158.54 27.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 124.7 -161.71 19.12 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 348' ' ' GLY . . . . . 0.505 ' O ' HD13 ' B' ' 349' ' ' LEU . . . -69.84 68.9 0.6 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.3 tp 175.04 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 3.8 t70 84.2 -175.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.567 HG21 ' HD2' ' B' ' 357' ' ' PRO . 0.6 OUTLIER -132.86 145.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.871 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.66 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 4.0 t 159.39 -61.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.5 152.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 338' ' ' LEU . 0.8 OUTLIER 49.88 56.98 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.691 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -39.07 98.98 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.775 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.685 ' CB ' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -122.72 -40.4 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.81 93.7 1.45 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 85.52 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.038 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.691 HD23 HG12 ' B' ' 356' ' ' VAL . 2.2 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -166.68 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.92 87.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m 69.99 -73.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -158.68 148.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 9' ' ' SER . 54.7 m -64.97 133.05 95.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.676 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 13.16 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 7' ' ' SER . 44.7 p -101.65 -12.21 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.48 -63.34 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.901 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.67 -33.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.594 ' H ' HD22 ' A' ' 11' ' ' LEU . 34.6 mt-30 -71.29 -41.81 69.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.5 m-20 -70.06 -30.03 67.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 40' ' ' LEU . 2.5 tt -64.55 -67.38 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -31.68 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttm-85 -77.68 -20.77 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -76.46 -51.52 11.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HG ' HD21 ' B' ' 323' ' ' LEU . 0.3 OUTLIER -46.92 -24.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 10.1 mptt -59.27 -34.24 72.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.1 -176.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.03 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.606 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.8 p 89.35 84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.74 -61.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -75.03 -99.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' GLN . 45.8 mt-30 -60.71 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.606 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.32 -59.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.4 pt20 -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -71.16 -22.97 61.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.0 mt-30 -73.34 -53.81 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.836 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -56.47 -48.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.14 -30.78 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.9 m-20 -61.41 -56.26 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -71.28 -40.39 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.836 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.83 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 8.3 ptpt -92.53 -47.51 7.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.506 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.6 m -75.4 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.9 m120 -143.87 101.86 4.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.94 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 49.1 tp60 -44.23 -26.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -78.02 -49.2 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -52.8 -24.99 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -58.69 -39.56 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.12 -59.38 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.707 ' CD2' HD21 ' A' ' 14' ' ' LEU . 3.5 t80 -53.23 -55.42 24.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.01 -43.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -61.33 -39.16 89.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 55.3 mm-40 -69.18 -44.23 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.723 ' NH1' HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -60.59 -51.24 70.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.709 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.7 t -70.69 -22.22 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.52 -11.47 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -95.06 -31.08 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.931 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.47 -49.9 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -42.59 -27.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -71.83 -55.7 7.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 5.0 p30 -83.34 3.77 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -114.0 95.28 37.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.57 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.29 69.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.834 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.773 ' O ' HG22 ' B' ' 305' ' ' THR . 1.4 t -59.31 -43.16 92.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 304' ' ' THR . 14.3 t 50.89 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.772 HG11 ' CB ' ' B' ' 317' ' ' GLU . 17.8 m 44.75 32.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.32 -3.55 59.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -111.49 13.24 27.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.478 ' N ' ' HD2' ' B' ' 309' ' ' ARG . 1.9 mpt_? -134.52 -62.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.6 t30 61.56 138.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.5 OUTLIER 149.3 164.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.937 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 1.6 tt0 -33.39 -61.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.896 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -55.88 -45.17 78.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.896 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -58.73 -42.12 88.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.563 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -52.27 -43.81 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -73.54 -51.5 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.772 ' CB ' HG11 ' B' ' 306' ' ' VAL . 3.3 mt-10 -38.96 -38.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.409 ' OE1' ' OG1' ' B' ' 304' ' ' THR . 6.6 tt0 -75.43 -48.14 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.859 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.28 -57.62 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' B' ' 316' ' ' LEU . 3.1 m -48.87 -50.54 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 38.9 t -57.66 -50.51 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.68 -31.15 71.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.713 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.5 mt -69.71 -41.52 75.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -54.09 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.68 56.5 4.14 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.673 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 0.7 OUTLIER -45.12 135.71 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 5.2 m-20 -82.17 -43.64 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -46.04 -29.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.556 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.7 -32.62 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.357 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.04 -52.4 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -80.68 48.61 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.97 -22.41 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.439 ' H ' HD12 ' B' ' 334' ' ' LEU . 4.5 mp -75.66 -52.28 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 30.6 m-20 -75.58 -12.92 60.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.556 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.64 -30.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.53 -42.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.724 HD23 ' HE3' ' A' ' 51' ' ' LYS . 2.9 mt -109.2 -19.86 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.07 -55.15 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.759 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.5 pp -104.63 15.13 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.572 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -61.03 -9.37 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 2.4 mppt? -88.17 -19.66 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.673 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mp -88.64 -37.62 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.79 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.3 p -78.94 -3.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' B' ' 358' ' ' ARG . 0.3 OUTLIER -35.27 -42.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 151.85 104.93 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.94 67.29 0.25 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 87.6 41.99 6.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 49.69 70.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -162.27 68.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.452 HG11 ' O ' ' B' ' 344' ' ' VAL . 32.6 m -144.46 -173.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -97.93 103.04 14.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 352' ' ' LEU . 3.3 m -36.02 -46.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -38.89 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.8 mt 40.57 64.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.7 m -37.03 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.79 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.98 5.33 4.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.75 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 147.87 67.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 88.39 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.647 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.6 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 t30 178.57 95.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -92.21 174.89 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' ILE . 63.0 m -98.25 24.62 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 80.87 159.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.51 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.26 142.34 86.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.4 Cg_endo -74.97 -62.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' GLN . 56.3 m -38.83 -38.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -31.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -63.85 -48.08 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.15 -39.95 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.93 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.58 -33.64 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 1.9 ttt85 -75.21 -27.74 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.1 m -69.83 -30.54 68.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.708 HD21 ' HE2' ' A' ' 44' ' ' PHE . 2.3 mm? -71.82 -30.16 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -52.91 -32.96 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.6 -177.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.94 -35.43 3.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 m 88.79 83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.74 -61.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 72.0 mt-30 -60.77 -49.63 76.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -32.72 -59.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.539 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.41 -27.23 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.819 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.7 mt-30 -69.61 -53.3 19.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.922 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.18 -52.19 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.99 -32.75 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.8 m-20 -59.95 -68.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.56 -48.79 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 -28.92 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -86.46 -50.38 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -3.66 20.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.7 m-80 -152.85 105.89 2.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -69.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 2.7 tp-100 -46.16 -25.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 40' ' ' LEU . 2.1 tm? -73.63 -49.91 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -54.08 -31.96 53.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.47 -44.5 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.06 -54.88 17.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.708 ' HE2' HD21 ' A' ' 18' ' ' LEU . 2.2 t80 -59.1 -55.99 27.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.74 -37.94 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -64.42 -49.53 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -74.94 -12.04 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.57 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -93.03 -28.96 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.618 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -98.98 -11.08 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -12.32 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.8 tppm? -86.04 -25.77 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.843 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.6 -49.8 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.91 -34.83 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.23 -52.76 37.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.8 m-20 -61.81 -48.25 81.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -117.12 80.12 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.11 3.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -6.96 8.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.426 ' O ' HG22 ' B' ' 304' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.96 -0.439 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.596 HG21 ' HB3' ' B' ' 318' ' ' GLN . 0.5 OUTLIER 69.55 147.43 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.791 ' C ' HG12 ' B' ' 306' ' ' VAL . 0.1 OUTLIER -158.9 91.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.791 HG12 ' C ' ' B' ' 305' ' ' THR . 0.2 OUTLIER 169.39 -28.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.687 ' HB2' HD11 ' A' ' 11' ' ' LEU . 3.0 pt-20 -45.32 151.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 68.39 4.1 35.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -107.67 -29.58 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.285 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.741 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -118.27 -165.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.29 171.15 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.54 ' HA ' HD22 ' B' ' 315' ' ' LEU . 41.5 tt0 -43.17 -41.9 3.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.554 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -47.95 -41.22 24.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -63.59 -38.71 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.724 ' CB ' HD13 ' A' ' 11' ' ' LEU . 2.1 mp -56.84 -41.91 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.892 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -76.88 -39.88 49.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.514 ' HA ' HG22 ' B' ' 320' ' ' VAL . 2.9 mt-10 -54.9 -31.64 60.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.756 ' CD ' HG13 ' B' ' 306' ' ' VAL . 0.4 OUTLIER -75.3 -52.51 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.849 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.0 -55.21 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.892 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -51.19 -39.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 3.1 m -63.93 -51.07 66.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.88 -30.55 71.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.0 mt -69.18 -48.91 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -50.11 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.92 47.98 2.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.559 ' HZ1' HD12 ' A' ' 18' ' ' LEU . 2.0 tppp? -42.27 114.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 0.1 OUTLIER -75.05 -31.95 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.5 tp10 -47.28 -23.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.498 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -59.23 -23.91 62.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 330' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.6 OUTLIER -67.3 -33.07 74.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.539 HD23 ' C ' ' B' ' 331' ' ' LEU . 3.4 tt -86.43 -54.39 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.515 ' N ' HD23 ' B' ' 331' ' ' LEU . . . -79.38 55.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -45.67 -24.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 334' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 334' ' ' LEU . 4.0 tp -81.09 -52.63 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.484 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 79.3 m-20 -60.15 -15.54 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.498 ' HG3' HG23 ' B' ' 329' ' ' THR . 8.8 ttm180 -42.29 -27.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.32 -61.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 1.014 HD12 ' OD1' ' B' ' 341' ' ' ASP . 72.3 mt -101.86 -15.64 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.18 -53.63 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.886 ' HB ' HD22 ' B' ' 343' ' ' LEU . 1.8 pp -98.11 19.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 1.014 ' OD1' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.1 -18.23 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.3 OUTLIER -82.07 -22.05 36.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -83.23 -43.56 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.745 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -73.4 -4.51 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.457 ' CG ' ' HG2' ' B' ' 358' ' ' ARG . 2.5 tt0 -36.08 -45.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 161.37 176.33 33.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 171.48 -32.26 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 137.38 107.25 0.81 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 51.89 93.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.713 ' O ' ' O ' ' B' ' 351' ' ' VAL . 2.9 p-10 178.93 -150.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.713 ' O ' ' O ' ' B' ' 350' ' ' ASP . 3.2 p 49.34 152.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.42 22.41 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.615 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.2 OUTLIER 62.64 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.42 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.3 mt 55.55 58.22 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.6 m -38.48 98.72 0.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.745 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -123.56 -43.42 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 112.8 81.92 1.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.0 OUTLIER 84.7 76.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 -179.962 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 177.17 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 57.23 160.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -142.65 -148.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.27 153.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 9' ' ' SER . 7.4 m -67.63 131.35 92.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.669 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 12.44 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 7' ' ' SER . 3.3 m -101.52 -10.25 20.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -83.7 -62.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.893 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.48 -33.96 1.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.6 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mt-30 -68.87 -40.32 79.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' ALA . 38.9 m-20 -71.4 -29.25 64.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.888 HD23 ' HG ' ' B' ' 319' ' ' LEU . 12.1 tp -63.83 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.055 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.79 -31.31 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 20.2 ttm180 -75.77 -21.3 57.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -76.66 -50.7 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.74 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.97 -29.05 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.0 mptm? -52.78 -35.21 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.675 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.23 -172.48 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.675 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.61 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.2 t 85.65 74.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.623 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 172.07 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -95.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLN . 28.8 mt-30 -58.67 -52.96 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -28.35 -62.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.552 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -40.74 -49.43 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -74.61 -31.27 61.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.723 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.6 mt-30 -65.7 -52.55 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -58.94 -54.64 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.14 -34.25 74.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -60.17 -68.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.67 -50.74 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.7 mt -50.76 -29.79 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 15.6 mttt -91.71 -29.55 16.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' ASN . 1.3 t -79.95 -9.79 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.589 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 15.1 m-80 -159.44 109.16 1.5 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.03 -66.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -47.17 -23.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -79.16 -50.32 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.71 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -49.72 -24.96 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.572 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -54.1 -35.06 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -68.71 -60.62 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.689 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.5 t80 -60.9 -54.86 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -42.89 -48.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -61.44 -40.76 95.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.831 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 3.6 mtm180 -67.74 -50.17 58.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.632 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.02 -27.83 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.73 -8.43 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.677 ' CE ' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -93.79 -35.41 12.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -94.98 -42.24 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.48 -32.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.6 65.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -109.0 -34.84 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.7 pp0? -114.18 92.96 28.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 89.44 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -120.48 59.81 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.606 HG23 ' N ' ' B' ' 305' ' ' THR . 1.3 t -66.04 -167.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.606 ' N ' HG23 ' B' ' 304' ' ' THR . 0.2 OUTLIER -146.4 126.55 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.497 HG12 ' N ' ' B' ' 307' ' ' GLU . 40.9 t 40.07 -112.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 307' ' ' GLU . . . . . 0.52 ' OE1' HG21 ' B' ' 304' ' ' THR . 0.2 OUTLIER 74.7 135.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 69.52 -57.7 0.67 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -45.21 -59.05 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.561 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -69.97 -70.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER 171.62 -173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.699 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.6 OUTLIER -40.7 -59.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' B' ' 316' ' ' LEU . 0.0 OUTLIER -42.31 -42.25 3.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -56.92 -41.73 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.32 -35.39 78.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.841 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -80.01 -27.93 39.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 7.5 mt-10 -63.22 -42.31 99.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -73.97 -47.48 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.949 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -64.06 -49.91 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 316' ' ' LEU . 84.7 t -58.03 -54.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 22.8 t -53.5 -43.36 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.674 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.74 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.6 mt -71.78 -46.53 58.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -52.77 58.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.49 44.3 3.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.674 ' NZ ' ' CZ ' ' B' ' 322' ' ' PHE . 7.5 tppt? -42.28 127.01 3.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.9 -38.85 22.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -24.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -54.24 -27.74 36.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.61 -29.7 59.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 331' ' ' LEU . 0.2 OUTLIER -90.35 -54.14 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.18 52.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.75 -23.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -52.15 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.761 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.4 m-20 -68.78 -15.7 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.419 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 60.1 ttt180 -38.73 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.98 -62.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.677 HD22 ' CE ' ' A' ' 51' ' ' LYS . 7.7 mt -82.66 -28.81 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 339' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 70.94 1.35 39.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.95 ' HB ' HD12 ' B' ' 343' ' ' LEU . 2.6 pp -154.96 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' B' ' 338' ' ' LEU . 12.5 t70 -60.56 -13.9 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -24.66 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.95 HD12 ' HB ' ' B' ' 340' ' ' ILE . 15.0 mt -82.87 -24.71 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' B' ' 340' ' ' ILE . 1.8 m -99.54 -4.24 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -31.82 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 141.84 -155.5 25.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 170.64 41.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 119.18 30.9 1.49 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 9.0 tp 67.0 81.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 86.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.559 ' C ' HD13 ' B' ' 352' ' ' LEU . 4.4 m -115.39 -112.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.816 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -136.11 22.52 3.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.425 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 37.33 51.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.87 140.84 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER 40.15 76.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.583 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -37.17 97.89 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.542 ' CB ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.98 -25.59 11.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.759 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -87.67 -30.92 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 131.89 -62.99 0.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.652 ' C ' HD22 ' B' ' 361' ' ' LEU . 35.7 t -139.55 91.44 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.8 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -132.19 95.2 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.93 145.9 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p -65.69 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.512 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -159.7 151.1 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' SER . 34.8 m -66.05 130.0 94.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 14.35 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' SER . 71.0 p -101.98 -11.63 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.66 -62.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.911 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.44 -33.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' H ' HD22 ' A' ' 11' ' ' LEU . 44.7 mt-30 -72.26 -40.75 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.3 m-20 -72.1 -29.1 63.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -65.95 -64.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.2 ttm180 -66.24 -28.97 69.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.641 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -71.96 -44.78 63.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.994 HD22 HD21 ' B' ' 323' ' ' LEU . 5.9 mt -56.72 -30.01 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 4.5 mmpt? -52.6 -28.01 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.706 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.3 p -54.72 -170.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.706 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.99 -34.2 4.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.668 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 83.1 86.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.633 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.94 -62.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.04 -96.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.5 mt-30 -61.24 -51.04 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.668 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -30.12 -61.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.575 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.9 pt20 -40.83 -50.46 3.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.565 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.93 -27.93 61.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.641 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.3 mm100 -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -63.79 -53.82 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -59.09 -40.01 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.4 m-20 -53.81 -68.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.07 -55.53 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.7 OUTLIER -42.7 -29.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.3 mttm -85.88 -41.6 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -75.09 -2.88 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB2' HD22 ' A' ' 40' ' ' LEU . 8.8 m-80 -160.91 108.05 1.28 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.5 Cg_endo -74.92 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.512 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -48.03 -29.47 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.65 -35.56 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.659 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.17 -33.67 76.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -57.07 -38.6 73.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.907 ' CD2' HD21 ' A' ' 14' ' ' LEU . 7.8 t80 -54.34 -55.01 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.19 -42.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.2 mmpt? -62.24 -35.23 78.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.691 ' HG2' HG23 ' B' ' 320' ' ' VAL . 1.1 mm100 -71.59 -41.12 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.085 ' NH1' HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -67.47 -50.41 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.666 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.99 -26.94 67.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.15 -9.49 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.789 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.8 tppt? -92.65 -23.83 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.801 ' CZ ' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -108.11 -44.18 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -54.2 -24.77 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.73 9.84 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.5 m-20 -136.53 -46.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.48 113.8 57.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.41 77.67 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.537 0.786 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.524 ' O ' HG22 ' B' ' 304' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.524 HG22 ' O ' ' B' ' 303' ' ' PRO . 5.9 t 44.24 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 305' ' ' THR . . . . . 0.443 ' OG1' ' C ' ' B' ' 304' ' ' THR . 1.5 m -156.29 61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.875 HG22 ' HB3' ' B' ' 309' ' ' ARG . 0.4 OUTLIER -172.74 31.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -46.24 127.59 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 86.38 -25.59 7.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.875 ' HB3' HG22 ' B' ' 306' ' ' VAL . 0.0 OUTLIER -96.47 -7.47 34.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 110.272 -179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' B' ' 309' ' ' ARG . 10.3 t-20 -35.48 156.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.873 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER 156.83 163.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.581 ' O ' HD23 ' B' ' 316' ' ' LEU . 4.5 tt0 -37.36 -60.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.704 ' HZ1' ' HD3' ' B' ' 309' ' ' ARG . 0.5 OUTLIER -64.14 -28.82 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.873 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -75.29 -32.43 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.04 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.984 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -60.75 -49.51 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -44.99 -41.65 7.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 16.3 tp60 -67.27 -42.31 84.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.24 -57.95 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.984 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.4 OUTLIER -56.84 -40.69 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 22.3 t -64.39 -41.11 96.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CE1' ' NZ ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -72.22 -30.18 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 1.085 HD13 ' NH1' ' A' ' 48' ' ' ARG . 7.3 mt -67.44 -44.55 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.84 49.72 3.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.531 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.4 OUTLIER -45.65 121.42 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -80.86 -31.4 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.08 -24.4 6.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.504 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.2 m -54.97 -26.47 36.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.41 -44.42 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.61 53.5 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -48.09 -23.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.53 -51.76 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.501 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 73.2 m-20 -66.6 -14.83 62.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.504 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -43.58 -25.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -38.4 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 338' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 355' ' ' LEU . 1.7 mt -96.49 -19.99 18.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.3 -36.63 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.789 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.8 pp -124.36 21.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' B' ' 357' ' ' PRO . 0.7 OUTLIER -52.26 -24.19 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -72.49 -25.5 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.9 mm? -84.7 -26.98 27.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 2.3 t -82.01 -13.4 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 344' ' ' VAL . 22.6 tt0 -31.77 -44.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 179.0 178.61 48.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -172.03 -81.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -120.63 -82.93 0.73 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.77 90.82 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.476 ' C ' HG22 ' B' ' 351' ' ' VAL . 2.5 p30 43.09 -154.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.886 HG23 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -157.75 102.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.545 ' N ' HD23 ' B' ' 352' ' ' LEU . 0.2 OUTLIER 37.65 -103.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.33 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 354' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -43.19 153.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.455 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.3 OUTLIER 39.22 54.56 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.465 HG21 ' H ' ' B' ' 360' ' ' SER . 13.1 m -38.34 109.87 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.653 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.4 Cg_endo -75.0 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.984 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.18 -45.61 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 123.08 89.19 0.9 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.465 ' H ' HG21 ' B' ' 356' ' ' VAL . 1.8 t 79.01 67.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.984 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.2 mp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -146.3 148.82 32.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -44.68 113.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p 43.95 -158.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -151.42 154.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.613 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -53.45 141.94 41.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -73.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLN . 90.5 p -33.55 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -39.04 -41.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.034 HD13 HD13 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -53.11 -48.52 67.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.516 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 3.4 pt20 -57.87 -38.05 75.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.6 -34.97 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' CD1' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -66.71 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.046 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.39 -31.6 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.6 ttm180 -76.03 -29.96 58.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -66.95 -38.46 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -68.26 -31.02 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.2 mttt -52.57 -35.72 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.95 -179.18 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.049 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.29 3.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.7 p 88.5 83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.598 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.78 -61.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.0 -105.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.4 mm100 -60.12 -46.62 89.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.789 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.0 tm0? -34.61 -59.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -44.11 -44.67 7.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.556 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.37 -28.0 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.871 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.8 mt-30 -70.88 -44.09 67.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -62.56 -54.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.07 -34.94 75.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -58.64 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.707 ' CD1' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.39 -56.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.46 -29.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 6.2 mtmt -88.86 -41.21 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m -75.92 -0.34 21.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' HD13 ' A' ' 40' ' ' LEU . 67.0 m-80 -163.56 114.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.0 Cg_endo -75.04 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' CB ' HG13 ' A' ' 6' ' ' ILE . 3.3 tp60 -51.18 -43.05 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -59.8 -53.55 56.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.55 -41.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -58.26 -39.3 78.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.08 -56.28 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.3 t80 -61.22 -55.77 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -44.53 -49.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -68.23 -28.84 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.2 mm-40 -72.26 -38.04 68.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.892 ' NH2' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -80.73 -35.1 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -81.87 -15.69 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.72 -8.76 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.6 tppm? -90.96 -24.81 20.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.96 -49.26 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -44.94 -27.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.01 31.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -72.21 -44.51 62.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.2 pp0? -108.51 101.45 43.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.01 25.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.12 61.17 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 303' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 304' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' B' ' 303' ' ' PRO . 0.5 OUTLIER 83.49 151.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.353 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 40.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 306' ' ' VAL . . . . . 0.842 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 22.5 m -136.89 11.58 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.07 131.53 46.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 101.18 -15.3 57.92 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 309' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' B' ' 310' ' ' ASN . 0.0 OUTLIER -111.43 -71.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 310' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 1.4 t-20 60.63 130.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.709 ' C ' HD23 ' B' ' 315' ' ' LEU . 5.1 m-20 154.0 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 312' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' B' ' 311' ' ' ASP . 13.1 tt0 -30.83 -48.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 313' ' ' LYS . . . . . 0.969 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -63.02 -54.55 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 314' ' ' ALA . . . . . 0.969 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -56.75 -33.52 66.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 315' ' ' LEU . . . . . 1.034 HD13 HD13 ' A' ' 11' ' ' LEU . 4.2 mm? -55.2 -57.13 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 316' ' ' LEU . . . . . 0.785 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.01 -54.22 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' B' ' 320' ' ' VAL . 61.6 mm-40 -38.81 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 318' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 11.5 tt0 -71.84 -48.09 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 319' ' ' LEU . . . . . 0.752 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -72.5 -48.97 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 320' ' ' VAL . . . . . 0.785 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.3 m -58.36 -36.91 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 321' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 9.2 t -63.43 -53.77 47.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 322' ' ' PHE . . . . . 0.662 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.892 HD22 ' NH2' ' A' ' 48' ' ' ARG . 6.1 mt -69.57 -42.68 74.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.6 m -53.25 -47.63 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -101.21 55.43 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.69 ' HZ1' ' NH2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -43.64 125.3 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.15 -35.84 48.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 328' ' ' GLU . . . . . 0.499 ' HB2' ' HZ2' ' B' ' 342' ' ' LYS . 45.3 mm-40 -45.88 -27.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -32.38 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -31.98 71.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.42 -52.77 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 332' ' ' ALA . . . . . 0.548 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.45 50.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -48.12 -23.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.42 -47.44 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.465 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -72.03 -15.29 62.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 336' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -37.17 -31.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 337' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -44.77 -55.36 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.33 -17.5 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.31 -46.85 3.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 340' ' ' ILE . . . . . 0.91 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.0 pp -108.43 21.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.806 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.492 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -59.52 -13.95 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 342' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -87.51 -5.94 58.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 343' ' ' LEU . . . . . 0.91 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.8 mm? -101.12 -47.19 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 344' ' ' VAL . . . . . 0.863 ' O ' HG21 ' B' ' 351' ' ' VAL . 1.6 p -61.22 -12.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.1 pt20 -29.29 -43.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 346' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 155.92 -139.59 6.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 176.62 -39.13 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 164.76 41.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 349' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.6 tp -177.5 -57.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 350' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 3.8 m-20 156.88 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 351' ' ' VAL . . . . . 0.863 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -140.73 -179.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 352' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -90.91 9.7 29.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 353' ' ' SER . . . . . 0.557 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 33.9 t -81.03 148.27 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -113.71 -17.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER -90.75 22.16 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 356' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.7 m 39.17 90.45 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 357' ' ' PRO . . . . . 0.861 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.742 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -121.98 -68.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 359' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.56 60.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 360' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 93.3 77.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.511 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -162.77 144.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 128.51 45.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 1.94 7.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m -103.03 -23.18 13.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -72.58 -54.7 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.19 -38.59 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.89 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.4 mm-40 -64.45 -32.98 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.3 m-20 -74.06 -32.54 63.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.01 HD23 ' HG ' ' B' ' 319' ' ' LEU . 10.9 tp -63.56 -62.16 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -32.34 69.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 19.6 ttm-85 -76.04 -20.67 57.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.8 m -75.37 -51.16 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.807 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.5 mm? -48.38 -30.76 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.29 -35.01 49.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.7 -174.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.647 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.01 -35.06 3.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.12 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.641 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.79 -62.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.08 -96.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -60.61 -52.07 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.4 tm0? -29.9 -61.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.526 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -41.26 -48.84 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -73.9 -30.28 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.753 ' CB ' HG23 ' A' ' 17' ' ' THR . 20.0 mm-40 -67.12 -52.31 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -59.76 -54.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.53 -35.78 76.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 8.3 m-20 -57.45 -68.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -57.67 -55.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.4 mt -44.18 -29.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.5 mttm -83.26 -47.6 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.01 0.63 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 1.079 ' CB ' HD12 ' A' ' 40' ' ' LEU . 19.0 m-80 -158.0 107.95 1.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -45.17 -36.84 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.079 HD12 ' CB ' ' A' ' 37' ' ' ASN . 44.1 mt -67.69 -54.14 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.643 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -48.46 -49.21 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.01 -41.31 62.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.62 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -54.5 -54.37 41.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.41 -42.87 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.87 -40.82 94.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -65.84 -45.71 81.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.589 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.2 ttt180 -61.14 -47.31 86.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -72.44 -20.46 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -62.67 -9.07 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.777 ' HG2' HD11 ' B' ' 340' ' ' ILE . 5.6 tptt -93.54 -24.95 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.85 -49.49 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -39.79 -32.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.55 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 37.7 m-20 -61.23 -45.99 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.748 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' B' ' 313' ' ' LYS . 6.8 tt0 -39.27 -59.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.803 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.87 -35.29 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.803 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.82 -33.57 75.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.532 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.4 mm? -64.33 -60.98 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.4 pp -61.69 -28.29 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.622 ' HA ' HG12 ' B' ' 320' ' ' VAL . 34.1 mm-40 -71.51 -28.17 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -73.45 -48.29 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 1.046 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -67.95 -49.07 63.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 1.046 ' N ' HD13 ' B' ' 319' ' ' LEU . 2.8 p -58.31 -41.71 81.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 7.4 t -59.15 -47.62 84.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -30.44 71.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.807 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.4 mt -64.15 -49.51 71.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -43.93 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.43 50.57 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.448 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.49 115.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 1.7 m-20 -84.19 -25.21 29.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.93 -20.14 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.611 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.3 OUTLIER -51.09 -31.45 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.9 OUTLIER -62.72 -39.22 93.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -47.81 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.43 51.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.17 -21.88 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.36 -52.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.535 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 15.1 m-20 -68.09 -16.29 63.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.611 ' CG ' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -43.24 -27.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -40.49 -62.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.94 HD23 ' OD1' ' B' ' 341' ' ' ASP . 4.0 mm? -95.0 -19.31 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.59 -34.79 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.777 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.9 pp -127.85 15.14 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.94 ' OD1' HD23 ' B' ' 338' ' ' LEU . 0.2 OUTLIER -54.91 -19.69 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.579 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -75.89 -14.9 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' B' ' 340' ' ' ILE . 4.0 mp -88.96 -47.69 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.696 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.3 p -67.75 -9.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.522 ' C ' ' O ' ' B' ' 344' ' ' VAL . 44.3 tt0 -28.96 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.696 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.886 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -144.38 -92.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.7 OUTLIER 154.94 48.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.454 ' HB2' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -133.1 109.3 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.734 HD13 HD21 ' B' ' 338' ' ' LEU . 0.4 OUTLIER 55.1 93.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.6 m -34.55 95.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.695 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.67 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.46 -41.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.02 -53.17 0.55 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.564 ' C ' HD22 ' B' ' 361' ' ' LEU . 9.9 t -147.06 86.59 1.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.803 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OE1' ' A' ' 39' ' ' GLN . 37.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 176.41 144.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.05 135.9 87.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.07 4.18 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -101.55 -23.4 14.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -72.34 -56.42 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.23 -40.62 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.93 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.6 mt-30 -63.98 -34.92 79.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ALA . 28.8 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.843 HD11 ' CD2' ' A' ' 44' ' ' PHE . 3.2 tp -66.09 -69.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -51.06 -39.15 55.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.786 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -62.51 -31.22 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.006 HD22 HD21 ' B' ' 323' ' ' LEU . 5.3 mt -72.53 -29.25 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' B' ' 322' ' ' PHE . 31.8 mmtt -53.08 -25.7 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.648 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.39 -173.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 -36.59 2.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.631 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.8 m 87.68 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.606 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 157.33 -61.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -98.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -61.92 -49.69 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.5 tm0? -30.75 -60.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.576 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -41.65 -51.07 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.576 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.85 -25.92 61.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.786 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.3 mm100 -67.96 -52.42 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.38 -51.63 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.14 -40.18 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -53.85 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.34 -53.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.29 -28.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 33' ' ' ILE . 15.3 mttm -87.4 -35.98 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' ILE . 73.0 m -85.67 1.85 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -163.41 105.01 0.97 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.67 -32.29 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 6' ' ' ILE . 4.2 mm? -77.43 -49.7 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.93 -52.29 25.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.68 -41.85 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.9 -60.59 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.8 t80 -57.42 -55.49 34.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.683 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.05 -34.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -74.57 -34.97 63.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.702 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.58 -45.28 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -70.44 -38.77 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.721 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -76.27 -20.76 57.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.4 -9.86 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.75 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.1 tppm? -89.02 -25.32 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.51 -51.49 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.05 -32.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.08 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.6 m-20 -63.27 -45.24 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.775 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -56.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.726 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.29 -35.56 79.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.775 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.64 -34.21 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.71 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -64.77 -61.71 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -59.0 -31.63 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.43 -33.13 74.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -67.17 -46.57 73.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 1.033 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.35 -35.53 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.2 t -62.06 -54.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -45.69 90.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.436 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 4.2 t80 -57.98 -32.04 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 1.006 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -72.54 -44.51 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -40.04 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -102.51 43.53 1.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.709 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.7 OUTLIER -41.25 121.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 2.2 m-20 -73.87 -43.88 57.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.438 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.9 OUTLIER -46.6 -24.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 15.7 m -54.78 -47.79 73.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.2 OUTLIER -54.19 -29.77 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 -51.65 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.12 53.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.537 ' HB2' HH21 ' B' ' 336' ' ' ARG . 8.1 pt-20 -47.31 -22.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -77.88 -52.42 8.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -71.02 -15.69 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' B' ' 333' ' ' GLU . 0.4 OUTLIER -37.88 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.58 -51.06 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.931 HD12 ' OD2' ' B' ' 341' ' ' ASP . 37.0 mt -107.67 -14.24 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.87 -54.92 2.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.744 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.8 pp -96.7 19.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.931 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -52.73 -27.35 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.73 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -70.59 -25.47 63.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.5 mm? -77.91 -51.64 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.771 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.9 p -67.68 -11.96 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 344' ' ' VAL . 2.1 tt0 -34.66 -43.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' B' ' 344' ' ' VAL . 0.1 OUTLIER 39.75 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 155.36 -47.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.0 126.48 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.71 75.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.683 HG21 ' O ' ' B' ' 359' ' ' GLY . 2.7 m -43.11 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.771 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.0 3.62 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' B' ' 361' ' ' LEU . 22.5 ttt-85 -125.44 -46.17 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.683 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 163.98 -62.88 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.471 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -131.46 -53.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.789 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.501 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -170.58 159.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.501 ' H ' HD13 ' A' ' 6' ' ' ILE . 48.0 m -63.68 138.07 97.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.0 Cg_endo -75.07 -65.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' GLN . 3.4 m -37.19 -39.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.4 -29.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' B' ' 315' ' ' LEU . 0.1 OUTLIER -66.18 -50.75 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -60.12 -30.47 69.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -73.26 -43.86 60.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 40' ' ' LEU . 3.9 tt -59.78 -59.73 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -30.22 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 6.0 ttt180 -75.16 -21.38 58.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.742 HG23 ' CB ' ' A' ' 29' ' ' GLN . 13.7 m -76.59 -52.87 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.747 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.4 mm? -47.88 -26.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mptp? -55.95 -36.96 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.589 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.27 -177.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -38.52 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 m 91.59 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.593 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.12 -60.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -102.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.94 -49.58 75.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.685 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -32.99 -60.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.37 -48.83 3.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.78 -27.96 61.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.742 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.5 mm100 -68.87 -51.55 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.07 -53.18 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.42 -32.29 73.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -59.21 -66.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.32 -42.29 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -57.26 -27.14 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 9.6 mtmt -90.65 -36.55 14.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -73.87 -12.75 60.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 12.2 m-80 -153.34 105.99 2.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.2 tp-100 -58.06 -34.31 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -72.26 -48.97 38.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.08 -23.72 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.563 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.98 -40.26 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' CG2' ' B' ' 320' ' ' VAL . . . -67.59 -54.79 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.5 t80 -56.14 -55.91 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.519 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.05 -35.82 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.3 mmpt? -75.78 -33.22 60.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HB3' HD13 ' B' ' 323' ' ' LEU . 2.7 mm-40 -72.52 -46.69 53.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.6 -37.67 79.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.703 HG22 ' HA ' ' A' ' 46' ' ' LYS . 6.6 t -78.99 -21.57 46.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.18 -9.16 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' B' ' 340' ' ' ILE . 16.4 tppt? -89.7 -26.21 20.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.913 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.37 -52.89 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.27 -31.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -75.23 -57.12 4.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.4 m-20 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.755 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.55 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.1 tt0 -38.04 -56.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.751 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.29 -36.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.755 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.84 -32.35 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.578 ' HA ' HD13 ' A' ' 11' ' ' LEU . 10.9 mp -65.44 -62.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.796 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.33 -30.51 66.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.42 -34.98 76.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.66 -49.73 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.862 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -73.08 -42.48 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.862 ' N ' HD13 ' B' ' 319' ' ' LEU . 21.1 t -53.23 -54.27 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.99 77.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -58.41 -31.51 67.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.747 HD21 ' HG ' ' A' ' 18' ' ' LEU . 4.6 mt -69.05 -45.79 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -53.37 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.79 49.25 3.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.559 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.0 OUTLIER -41.5 126.51 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 -35.5 43.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -47.3 -28.85 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.67 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.53 -32.38 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -58.34 -53.92 52.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 13.4 tp -78.66 -42.44 28.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.63 51.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 5.8 pt-20 -56.59 -21.71 28.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' B' ' 334' ' ' LEU . 1.7 tm? -83.43 -45.45 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.748 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.4 m-20 -72.44 -15.15 61.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.67 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -41.43 -27.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -37.77 -61.14 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' B' ' 341' ' ' ASP . 5.8 mp -96.96 -18.98 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.88 -45.81 3.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.735 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -109.91 23.1 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.594 ' CG ' HD13 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -52.48 -33.01 42.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.913 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -64.36 -21.07 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -81.37 -45.97 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.657 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -79.65 -4.55 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.532 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.9 tt0 -35.13 -46.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.913 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -48.7 -23.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.546 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.9 OUTLIER 54.72 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -53.31 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.3 mp -124.44 47.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.9 m 29.12 92.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.657 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 3.61 5.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.777 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -127.89 -67.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.543 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 152.01 71.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.9 t 85.46 78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.777 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.4 144.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m -68.48 149.91 97.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.623 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -67.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.5 m -33.79 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.717 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.48 -58.43 8.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.068 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.94 -31.28 28.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.589 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.24 -33.05 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.02 -33.25 61.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.055 HD12 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -66.09 -65.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.06 -34.09 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 18.4 ttt180 -73.5 -28.47 61.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -68.33 -46.16 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -53.94 -19.82 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 16.2 mmtm -63.34 -35.23 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.32 -178.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -34.8 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.8 p 89.49 84.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.6 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.99 -61.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.987 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.92 -102.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.6 mm-40 -61.14 -50.97 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tm0? -32.59 -60.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.522 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -42.31 -48.2 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.522 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -73.25 -27.19 61.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.705 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.3 mt-30 -68.5 -52.25 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.889 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.94 -52.0 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -32.23 73.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -60.18 -61.8 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -64.35 -62.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -38.39 -33.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 13.3 mttm -66.58 -53.43 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.2 m -94.18 16.82 13.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.717 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 9.5 m-80 -134.58 87.25 32.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -50.02 -21.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.055 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -82.86 -46.47 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 13.6 ttt -59.18 -26.91 65.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.59 -42.21 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -60.94 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' HB2' HD11 ' A' ' 14' ' ' LEU . 1.2 t80 -53.49 -57.54 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.617 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.65 -37.22 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.4 mmpt? -72.59 -34.07 67.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.563 ' NE2' HG13 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -70.34 -46.82 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 ptm180 -69.5 -44.47 71.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.4 t -71.78 -23.0 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -63.04 -9.86 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' B' ' 340' ' ' ILE . 9.7 tppt? -90.23 -25.89 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.864 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.46 -52.44 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.32 -33.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -65.19 -55.57 17.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 4.4 m-20 -68.46 -37.36 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.6 pp0? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.613 ' C ' HD13 ' B' ' 315' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.566 ' O ' HD23 ' B' ' 316' ' ' LEU . 0.9 OUTLIER -38.86 -53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.327 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.917 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.49 -33.79 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -73.61 -27.3 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.613 HD13 ' C ' ' B' ' 311' ' ' ASP . 11.0 mp -65.88 -61.39 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -63.73 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.4 mm-40 -63.76 -37.79 88.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.26 -50.0 69.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.861 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.13 -33.72 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 316' ' ' LEU . 25.3 t -64.05 -54.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -43.15 71.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -66.75 -32.37 73.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.0 mt -68.97 -45.22 71.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -54.1 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.68 53.77 4.57 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.655 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.2 tppp? -45.69 117.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.98 56.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.47 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 15.5 tp10 -50.41 -31.73 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 29.0 m -54.98 -29.92 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -56.37 -53.6 55.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.72 -50.11 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.31 52.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.87 -23.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 334' ' ' LEU . 1.8 tm? -77.32 -52.14 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.618 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 0.6 OUTLIER -65.23 -16.47 63.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -44.4 -26.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -39.64 -61.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -94.7 -17.31 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 80.81 -49.88 4.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -108.07 20.05 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.517 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.08 -27.75 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.729 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -71.91 -20.22 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.6 mm? -84.83 -47.84 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.857 ' O ' HG11 ' B' ' 351' ' ' VAL . 5.8 p -73.75 -3.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.497 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -40.11 -42.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.857 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.864 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.86 -3.58 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.42 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.1 OUTLIER 64.04 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -38.88 155.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.4 mt 41.39 63.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.2 m -37.53 98.25 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.827 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.97 4.93 4.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 40.0 ttt180 -121.94 -45.88 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 146.88 -36.22 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.8 t -169.49 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.787 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -176.51 154.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 m -60.43 140.57 91.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -53.66 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -38.42 -40.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -42.97 -31.1 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.714 HD13 HD12 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -62.28 -47.32 84.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.504 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.0 -32.66 73.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.54 -34.26 62.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.824 HD12 ' HG ' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -69.1 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.036 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.86 -36.48 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -71.91 -35.9 69.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.2 m -59.32 -37.97 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 HD21 ' B' ' 323' ' ' LEU . 2.3 mt -72.05 -30.92 65.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE2' HD21 ' A' ' 15' ' ' LEU . 2.3 mptp? -51.68 -23.83 4.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.601 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -62.6 -176.76 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.07 -34.92 3.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 t 89.15 84.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.61 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.98 -101.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.43 1.753 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' GLN . 15.6 mt-30 -60.78 -50.72 72.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -32.01 -59.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -42.31 -50.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -72.26 -26.02 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.83 -52.53 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.716 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.58 -51.6 69.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.4 -31.7 72.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.3 m-20 -61.76 -68.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -55.41 -46.96 78.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -53.68 -28.46 33.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -89.53 -50.48 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 24.1 m -74.39 0.56 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.723 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.2 m-80 -157.34 108.05 1.86 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -50.43 -40.11 49.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 37' ' ' ASN . 3.4 mm? -60.73 -53.53 56.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -50.98 -42.92 60.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.589 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.7 -48.93 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.788 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.7 t80 -54.54 -58.86 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.645 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -45.51 -38.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.2 mmpt? -66.28 -39.6 89.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' PHE . 15.3 mm-40 -67.55 -43.96 79.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.583 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -65.19 -44.7 87.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.636 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -68.79 -27.16 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -11.56 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.862 ' HD2' HD23 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -89.7 -28.59 19.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.827 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -101.76 -46.62 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -52.58 -26.4 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.37 22.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 87.9 m-20 -149.92 -48.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 4.9 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' B' ' 316' ' ' LEU . 32.5 tt0 -57.1 -52.37 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.82 -33.82 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -64.0 -38.06 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.714 HD12 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -62.61 -60.51 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -56.97 -28.93 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.438 ' HG3' ' HZ2' ' B' ' 313' ' ' LYS . 5.1 mm-40 -68.25 -36.55 79.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.516 ' NE2' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -62.34 -48.76 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.863 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -72.09 -41.31 67.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.863 ' N ' HD13 ' B' ' 319' ' ' LEU . 25.3 t -56.47 -53.72 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -51.87 65.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.664 ' HE1' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -56.89 -31.89 65.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.816 HD21 HD22 ' A' ' 18' ' ' LEU . 5.4 mt -67.28 -44.49 79.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -54.16 36.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.69 45.7 2.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.766 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 4.3 tppp? -41.93 125.66 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -39.39 71.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.16 -23.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 32.4 m -66.37 -28.19 68.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.58 -38.01 80.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.79 -50.38 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.28 51.74 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -47.6 -23.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -52.32 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.703 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.6 m-20 -68.33 -16.03 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 66.8 ttt-85 -39.53 -28.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.533 ' HB3' HD12 ' B' ' 338' ' ' LEU . . . -48.0 -48.17 32.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.862 HD23 ' HD2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -88.55 -30.61 19.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.532 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.65 -4.02 23.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 51' ' ' LYS . 2.4 pp -156.41 21.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' B' ' 338' ' ' LEU . 5.7 t70 -54.98 -19.4 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -25.91 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.766 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 10.1 mt -84.04 -32.03 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.936 HG11 HD21 ' B' ' 352' ' ' LEU . 1.9 t -76.1 -14.92 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -30.91 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.628 HG23 ' N ' ' B' ' 352' ' ' LEU . 32.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.936 HD21 HG11 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -123.1 -38.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 92.92 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.41 -70.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' B' ' 357' ' ' PRO . 13.5 mt -98.2 70.14 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.624 HG12 HD23 ' B' ' 361' ' ' LEU . 4.4 m -35.8 97.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.48 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.01 1.74 7.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.815 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.81 -42.64 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 116.26 78.22 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.509 ' C ' HD22 ' B' ' 361' ' ' LEU . 4.4 p 83.08 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.755 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 173.92 140.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -67.72 148.42 98.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.633 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 9.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -101.63 -10.36 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.35 -63.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.835 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.84 -31.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.59 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.0 mt-30 -75.35 -41.17 57.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.43 -68.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.75 -33.12 21.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 7.6 ttm180 -75.62 -28.7 58.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.798 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -68.25 -40.29 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.82 ' CD1' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -63.38 -30.89 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -51.27 -34.14 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.623 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.5 -175.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -35.39 3.16 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.779 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.605 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.1 m 88.74 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.634 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.23 -62.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.99 -95.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 31.1 mt-30 -59.67 -52.69 64.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -30.16 -60.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -41.65 -49.57 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.542 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -73.28 -27.63 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.798 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.4 mm-40 -69.57 -53.82 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -57.02 -52.84 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.11 -69.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.765 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.86 -60.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.485 HD13 HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -39.0 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 mtmp? -86.61 -53.36 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.8 m -77.11 -0.38 24.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 33' ' ' ILE . 7.1 m120 -142.65 98.91 5.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -29.06 8.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -77.71 -45.5 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' CD2' HG21 ' A' ' 6' ' ' ILE . 3.8 mm? -60.87 -50.85 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.502 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 ptt? -48.52 -41.84 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -61.39 -46.44 90.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.97 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.6 t80 -58.65 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.1 -37.87 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.6 mmpt? -66.58 -40.67 89.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.734 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.9 OUTLIER -74.98 -23.81 58.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.519 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.24 -33.79 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t -87.67 -15.37 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -9.46 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.645 ' CB ' HD11 ' B' ' 340' ' ' ILE . 1.0 OUTLIER -88.93 -25.24 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -109.01 -51.82 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.99 -32.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 1.2 m-20 -63.25 -46.61 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.1 pp0? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.635 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.653 ' O ' HD23 ' B' ' 316' ' ' LEU . 22.9 tt0 -40.0 -55.14 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.976 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -61.27 -33.07 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.976 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -72.29 -30.44 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -65.2 -62.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 3.7 mm-40 -65.53 -34.88 79.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -66.1 -47.88 72.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -72.09 -33.88 68.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.4 t -64.07 -54.39 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -38.26 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -70.97 -31.7 68.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.82 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.2 mt -70.45 -44.31 68.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -50.16 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.44 52.0 2.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.614 ' HZ3' HD12 ' A' ' 18' ' ' LEU . 2.6 tppp? -41.0 118.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.94 83.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.5 -30.76 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.543 HG23 ' HA ' ' B' ' 336' ' ' ARG . 55.1 m -51.37 -38.1 51.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.66 -46.59 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.1 tt -74.3 -44.76 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.46 51.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.0 -23.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.2 OUTLIER -80.54 -47.81 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.729 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 30.3 m-20 -70.33 -14.97 62.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.8 OUTLIER -34.46 -36.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.58 -62.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.467 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -99.23 -16.32 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.47 ' O ' ' CE ' ' B' ' 342' ' ' LYS . . . 69.33 -52.03 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.645 HD11 ' CB ' ' A' ' 51' ' ' LYS . 2.5 pp -97.76 20.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.544 ' HA ' HG12 ' B' ' 344' ' ' VAL . 3.0 t0 -52.53 -19.19 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -77.18 -27.77 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.38 -45.76 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.806 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.4 p -73.25 -4.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 3.6 tt0 -41.4 -46.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.491 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.491 ' CG1' ' HA2' ' B' ' 346' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.86 52.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.442 ' N ' HG23 ' B' ' 351' ' ' VAL . 20.6 m 37.4 -99.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER 42.24 -162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER -41.32 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.5 m -35.23 96.49 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.806 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.09 4.08 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.8 ' CB ' HD11 ' B' ' 361' ' ' LEU . 5.6 ttp85 -123.89 -41.67 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 139.67 -42.41 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.479 ' C ' HD22 ' B' ' 361' ' ' LEU . 6.1 t -158.93 88.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.816 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.782 HD11 ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -173.42 148.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -70.25 140.84 88.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.917 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -18.79 18.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -82.76 -39.91 21.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 37' ' ' ASN . . . -51.09 -60.66 2.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.935 HD13 HD12 ' B' ' 315' ' ' LEU . 0.7 OUTLIER -42.54 -53.19 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 11' ' ' LEU . 26.7 mt-30 -55.5 -44.91 77.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 2.3 m-20 -59.74 -32.71 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.969 HD22 ' HG ' ' B' ' 319' ' ' LEU . 7.0 tt -69.16 -59.46 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' B' ' 322' ' ' PHE . 1.5 tm? -53.39 -39.04 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.19 -24.95 57.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.07 -31.31 65.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.952 HD22 HD21 ' B' ' 323' ' ' LEU . 3.8 mt -75.75 -23.41 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.49 -21.51 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.628 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -58.6 -175.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -34.23 4.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.527 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.0 t 86.82 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.627 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.02 -62.16 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.627 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.3 mt-30 -60.66 -51.94 67.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.65 ' O ' HG13 ' A' ' 30' ' ' VAL . 9.2 tm0? -30.77 -60.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.562 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -43.72 -50.73 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.2 mt-30 -71.61 -24.02 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.764 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.8 mt-30 -70.21 -50.62 38.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.39 -51.5 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.533 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -64.33 -33.3 75.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.5 m-20 -58.65 -59.32 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.54 -60.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -35.69 -34.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.8 mttm -64.74 -53.51 46.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' ILE . 43.1 m -100.58 23.69 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.6 m-80 -128.53 90.09 47.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.782 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.5 Cg_endo -74.98 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.443 ' CB ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -70.96 -19.85 62.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.635 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -85.07 -55.23 4.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.562 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -49.13 -49.09 43.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.38 -41.69 66.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.19 -60.59 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.705 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.4 t80 -54.98 -56.27 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.38 -43.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.44 -33.54 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.6 mm100 -68.63 -39.02 80.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.629 HH21 ' CG1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -72.14 -46.23 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 t -67.33 -26.76 66.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.77 -11.26 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.748 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.6 OUTLIER -89.87 -26.46 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.12 -36.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -62.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.9 m-80 -62.31 -51.63 66.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.811 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.8 OUTLIER -38.49 -56.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.683 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.1 -31.79 73.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.811 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -69.3 -33.21 72.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.935 HD12 HD13 ' A' ' 11' ' ' LEU . 4.4 mm? -64.82 -61.65 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.829 ' O ' HG23 ' B' ' 320' ' ' VAL . 1.6 pp -59.47 -31.73 69.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -68.24 -32.78 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 1.8 tt0 -66.82 -44.48 81.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.969 ' HG ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.45 -39.84 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 316' ' ' LEU . 41.9 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.86 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.685 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -57.88 -29.64 65.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.952 HD21 HD22 ' A' ' 18' ' ' LEU . 5.8 mt -71.01 -46.24 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.13 -52.41 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.21 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.093 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.784 ' NZ ' HD23 ' B' ' 323' ' ' LEU . 7.1 tppt? -45.57 129.26 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -24.64 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.15 -25.6 33.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.608 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.92 -41.09 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.77 -64.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.42 -45.96 90.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.41 50.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 7.9 pt-20 -54.79 -22.15 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -37.23 24.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.818 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 9.4 m-20 -76.49 -16.25 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.608 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.5 mtm180 -39.15 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.02 -53.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 51' ' ' LYS . 3.8 mm? -110.2 -10.2 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.36 -53.85 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.748 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -114.66 21.46 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 1.1 t0 -46.94 -41.84 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.623 ' CD ' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -52.62 -32.78 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.723 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.54 -27.74 45.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.855 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.2 t -85.35 -10.04 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 12.4 pt20 -36.45 -43.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.835 HG23 ' H ' ' B' ' 353' ' ' SER . 19.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.638 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -132.75 25.78 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.835 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.5 t 36.6 39.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.19 144.0 29.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER 40.1 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.655 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.1 m -37.21 97.75 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.469 ' HB2' ' N ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -75.03 -10.85 21.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.739 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -111.13 -31.41 7.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.655 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 147.21 -70.52 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.504 ' C ' HD22 ' B' ' 361' ' ' LEU . 1.4 t -119.85 -64.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.739 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.72 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 171.72 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.58 ' N ' HG23 ' A' ' 6' ' ' ILE . 69.6 m -92.94 136.41 24.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.831 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -89.27 -35.84 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' OD1' ' A' ' 37' ' ' ASN . . . -53.19 -57.56 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.029 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -39.15 -49.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -45.57 77.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.3 m-20 -67.2 -28.61 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.019 ' HB3' HD22 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -62.28 -72.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -32.77 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -72.24 -24.37 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -78.46 -41.83 31.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.2 mm? -62.16 -18.33 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' SER . 32.1 mttt -65.61 -34.38 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.57 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.97 -177.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.98 -34.58 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.757 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 m 88.35 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 164.15 -61.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -104.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' GLN . 11.5 mt-30 -59.69 -48.84 80.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -33.32 -59.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.4 pt20 -42.67 -48.77 5.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.1 mt-30 -73.64 -26.04 60.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.766 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.6 mt-30 -71.4 -53.03 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.69 -50.45 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.55 -30.97 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.6 m-20 -60.67 -51.32 69.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.53 -41.02 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.5 OUTLIER -60.36 -29.7 69.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.7 ptpt -88.11 -33.2 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -88.82 -1.66 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.9 m-80 -155.41 108.64 2.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB3' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.87 -39.96 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD23 HD12 ' A' ' 6' ' ' ILE . 4.5 mm? -65.98 -50.31 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.633 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -50.95 -38.56 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.7 -45.27 73.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.94 -57.02 6.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 18' ' ' LEU . 5.3 t80 -54.57 -55.54 28.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.62 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.48 -39.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.916 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.5 mp0 -74.94 -15.97 60.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.1 ttm180 -91.75 -26.56 18.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 11.3 t -95.61 -15.66 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.4 -13.86 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 1.04 ' CE ' HD13 ' B' ' 338' ' ' LEU . 6.7 tmtt? -87.55 -27.74 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.78 -45.67 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -54.37 -16.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -106.45 24.2 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.573 ' C ' ' OD1' ' A' ' 55' ' ' ASN . 29.8 p30 -164.55 21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' A' ' 53' ' ' VAL . 12.8 pt20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.594 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.3 tt0 -39.16 -54.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.955 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.93 -34.6 77.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.955 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.36 -31.95 69.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 1.029 HD12 HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -64.24 -61.15 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.768 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -58.97 -31.96 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 11.3 mm-40 -68.92 -31.75 70.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -67.17 -46.93 72.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -76.3 -31.21 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.916 HG13 ' CD ' ' A' ' 47' ' ' GLN . 8.8 t -65.16 -55.86 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -42.82 99.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.4 OUTLIER -62.1 -31.59 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.657 HD21 HD12 ' A' ' 18' ' ' LEU . 4.7 mt -71.72 -42.23 67.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.07 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.58 53.25 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.492 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.68 113.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 7.3 m-20 -77.48 -26.31 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 7.5 tp10 -55.25 -18.57 6.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -37.85 72.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -54.75 -34.26 62.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 332' ' ' ALA . 1.9 tt -90.44 -54.49 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.529 ' HB1' ' OD2' ' B' ' 335' ' ' ASP . . . -79.77 53.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.22 -22.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.98 -52.45 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.529 ' OD2' ' HB1' ' B' ' 332' ' ' ALA . 45.0 m-20 -68.99 -16.87 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.26 -56.34 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 1.04 HD13 ' CE ' ' A' ' 51' ' ' LYS . 13.0 mt -109.07 -9.65 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.43 -59.23 3.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.8 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.4 pp -92.06 9.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.791 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.5 OUTLIER -53.84 -19.68 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -82.12 -18.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -85.27 -45.75 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 1.045 ' O ' HG11 ' B' ' 351' ' ' VAL . 3.5 p -71.68 -7.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -30.14 -47.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 1.045 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -133.22 3.61 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.452 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.5 OUTLIER 61.92 -71.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.7 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.1 mm? 44.46 65.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.4 m -37.25 97.69 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.857 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.96 5.51 3.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.57 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.3 tmt_? -134.64 -67.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.18 66.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 89.78 76.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.671 ' N ' HD22 ' B' ' 361' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 78.37 170.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 6' ' ' ILE . 11.1 m -92.65 135.71 26.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 1.122 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 4.01 5.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -102.67 -11.36 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -76.88 -57.15 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.13 -28.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.743 ' H ' HD22 ' A' ' 11' ' ' LEU . 27.2 mt-30 -71.41 -39.85 70.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . 57.9 m-20 -73.8 -27.95 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.97 -68.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -33.1 62.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.5 ttm180 -74.18 -24.93 59.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.817 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -72.57 -39.07 67.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.751 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.3 mm? -64.64 -27.89 69.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.8 mptm? -53.65 -36.46 62.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.49 -178.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -33.32 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 t 87.98 83.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.94 -61.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.99 -100.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' GLN . 5.0 mt-30 -61.58 -51.34 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.677 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.69 -60.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -42.01 -49.98 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.73 -26.21 61.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.817 ' CB ' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.96 -51.06 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -60.42 -52.6 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.55 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.91 -35.94 77.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.9 m-20 -58.83 -69.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.42 -56.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -91.1 -44.59 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -74.92 2.41 10.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.3 m-80 -163.56 114.26 1.01 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.48 -43.94 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.1 mm? -57.29 -51.74 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' ILE . 9.9 ttt -50.31 -42.97 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.7 -37.95 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -61.14 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.4 t80 -60.27 -56.58 19.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.659 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -41.78 -48.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -59.88 -43.17 94.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.55 -47.09 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' B' ' 343' ' ' LEU . 0.2 OUTLIER -62.67 -49.64 74.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -68.44 -19.74 64.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.16 -9.16 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.669 ' HG2' HD11 ' B' ' 340' ' ' ILE . 15.0 tppt? -93.16 -23.82 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.44 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -38.78 -31.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.89 -57.61 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.0 m-20 -62.9 -51.56 66.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.792 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 3.2 pt-20 -35.35 -61.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.633 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -59.5 -40.47 87.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.792 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -59.12 -40.45 85.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.627 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.04 -48.67 80.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.895 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -67.91 -36.99 81.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' B' ' 321' ' ' SER . 2.8 mm-40 -55.91 -36.34 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -71.63 -49.82 36.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -70.21 -58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.895 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -48.91 -38.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.9 t -63.06 -55.21 27.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -31.12 71.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.1 mt -68.67 -44.02 74.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -49.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.18 49.36 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.755 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.4 tppp? -41.21 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -27.86 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -24.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.463 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.9 OUTLIER -51.38 -27.22 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.77 -47.48 86.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' B' ' 331' ' ' LEU . 0.2 OUTLIER -77.34 -53.12 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.806 ' HB1' ' OD1' ' B' ' 335' ' ' ASP . . . -80.19 51.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -48.98 -22.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -52.12 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.806 ' OD1' ' HB1' ' B' ' 332' ' ' ALA . 35.6 m-20 -65.28 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.463 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -39.1 -30.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.26 -61.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.432 ' N ' HD22 ' B' ' 338' ' ' LEU . 3.2 mm? -100.42 -12.75 19.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.5 -52.77 3.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.771 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.8 pp -106.6 19.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.505 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -56.89 -17.44 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -81.03 -5.27 57.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.771 HD13 ' HB ' ' B' ' 340' ' ' ILE . 3.5 mp -99.8 -40.71 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.65 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -74.56 -3.65 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' B' ' 344' ' ' VAL . 3.5 pt20 -35.65 -34.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.58 ' HB ' HG22 ' B' ' 344' ' ' VAL . 1.2 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.794 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.55 -12.63 16.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.636 ' N ' HD22 ' B' ' 352' ' ' LEU . 13.7 t -44.3 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -48.76 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.677 ' O ' HG13 ' B' ' 356' ' ' VAL . 6.1 mp -82.17 -102.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.886 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.8 m -159.57 104.83 1.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.65 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 3.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.564 1.823 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.718 ' CB ' HD11 ' B' ' 361' ' ' LEU . 7.1 ttt180 -126.31 -46.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.886 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 164.92 -64.02 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.424 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.6 OUTLIER -130.63 -51.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.718 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.539 HG23 ' N ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -167.91 168.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -89.43 132.22 37.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.03 3.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 m -102.11 -19.37 15.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -75.27 -54.91 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HG ' HD12 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -46.12 -40.12 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.881 ' H ' HD13 ' A' ' 11' ' ' LEU . 5.3 mt-30 -62.92 -35.2 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.8 m-20 -72.41 -32.32 66.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD23 ' HG ' ' B' ' 319' ' ' LEU . 19.1 tp -64.12 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.8 33.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.3 ttm180 -74.95 -24.95 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -74.53 -51.22 15.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.848 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.75 -31.26 6.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.6 mptp? -53.07 -33.27 51.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.626 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.5 -174.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.626 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.95 -37.0 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.632 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 88.84 84.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.621 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.67 -62.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -97.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.1 tt0 -60.55 -50.71 72.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tm0? -31.18 -61.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -41.72 -49.75 4.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.0 mt-30 -72.87 -26.0 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.6 mm100 -69.94 -51.3 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.66 -52.24 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.07 -35.05 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.4 m-20 -58.07 -66.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.01 -58.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -41.41 -30.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 33' ' ' ILE . 12.0 mttm -84.28 -46.53 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.459 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -75.43 -0.17 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 12.6 m-80 -159.69 109.9 1.47 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -45.08 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.851 HD21 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -55.93 -49.88 72.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.497 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 14.5 ttt -56.76 -41.92 78.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.23 -46.53 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -61.88 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.839 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.2 t80 -53.79 -57.55 10.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -46.85 -39.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.5 mmpt? -66.48 -34.66 78.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 tm0? -68.57 -45.16 72.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.681 HH21 ' HB ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -64.29 -40.61 96.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.648 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.5 t -74.0 -22.48 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -12.36 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HG2' HD11 ' B' ' 340' ' ' ILE . 10.9 tppt? -87.17 -24.47 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.922 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.31 -52.9 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.54 -30.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.65 -53.29 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -66.09 -40.76 91.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.637 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.1 m-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.692 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.6 tt0 -39.94 -55.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.934 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -60.78 -33.97 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.934 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -71.19 -29.98 65.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.886 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.6 mm? -65.9 -61.02 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -63.36 -26.72 68.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.63 ' HA ' HG12 ' B' ' 320' ' ' VAL . 4.7 mm-40 -71.44 -32.06 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -70.94 -51.3 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.969 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -65.13 -51.46 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.969 ' N ' HD13 ' B' ' 319' ' ' LEU . 3.4 p -59.15 -37.07 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 2.1 m -57.92 -51.13 70.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -30.95 71.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.848 HD21 ' HG ' ' A' ' 18' ' ' LEU . 11.1 mt -61.78 -46.42 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -46.52 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.14 50.56 1.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.464 ' HZ2' HD21 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -41.66 118.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.32 -31.16 43.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -46.43 -35.98 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.663 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.3 m -50.4 -29.0 9.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.47 -56.04 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -30.17 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.747 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.67 49.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.763 ' HG3' HD22 ' B' ' 334' ' ' LEU . 9.7 pt-20 -55.07 -21.54 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -82.29 -39.38 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.5 m-20 -78.76 -17.05 56.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.663 ' HG2' HG23 ' B' ' 329' ' ' THR . 2.0 mtt180 -38.24 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.2 -62.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.679 HD12 ' HD2' ' A' ' 51' ' ' LYS . 1.5 mm? -99.32 -15.9 18.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.7 -48.47 3.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.861 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.2 pp -113.98 15.48 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.469 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -53.68 -21.91 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.782 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -73.38 -14.56 61.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.802 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mm? -89.16 -45.92 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.2 p -74.47 -3.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.8 tt0 -28.57 -44.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.409 1.068 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.865 HG11 HD23 ' B' ' 361' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.36 53.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.475 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.1 t 39.06 -151.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER 61.75 122.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.4 mt 39.9 45.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.686 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.0 m -12.23 109.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.732 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 -0.88 10.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.79 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -120.53 -78.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.539 ' C ' HG21 ' B' ' 356' ' ' VAL . . . -171.69 -37.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 361' ' ' LEU . 16.3 p -163.06 88.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.865 HD23 HG11 ' B' ' 351' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -178.36 142.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -71.9 141.12 84.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.96 7.78 2.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -102.04 -19.25 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -74.92 -54.19 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.915 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -47.52 -40.45 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.915 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.53 -34.81 79.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' ALA . 78.6 m-20 -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -62.52 -69.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.31 -32.57 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 24.5 ttt-85 -70.79 -26.49 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.721 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.8 m -75.01 -48.3 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.859 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.9 mm? -51.31 -21.93 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' SER . 35.3 mmtt -60.23 -36.84 78.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.564 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.86 -177.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -32.22 5.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.526 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 85.99 84.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.04 -100.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 14.7 mt-30 -61.4 -52.83 62.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.658 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.38 -60.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -41.27 -49.4 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -73.62 -28.04 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.721 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.4 mm-40 -68.46 -52.53 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -57.43 -53.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.04 -37.09 83.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 9.6 m-20 -56.57 -67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.66 -55.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -43.42 -29.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.8 mtmt -86.72 -36.37 18.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.4 t -83.82 0.16 48.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.71 ' CB ' HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -160.62 109.01 1.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -46.81 -31.63 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -75.58 -48.05 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -50.33 -46.2 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.11 -40.66 70.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.63 -61.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 14' ' ' LEU . 3.5 t80 -54.94 -55.28 32.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.702 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.7 -42.26 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.22 -39.94 92.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.0 OUTLIER -67.44 -44.68 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -61.64 -47.82 83.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.5 t -72.74 -20.87 61.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.88 -8.96 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.684 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -91.88 -26.15 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.72 -51.0 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.09 -31.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.2 -50.0 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -70.41 -51.6 28.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.1 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 7.9 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' B' ' 315' ' ' LEU . 13.9 tt0 -47.12 -52.5 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.617 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -49.58 -32.83 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.617 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -69.15 -35.36 76.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.25 -60.03 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.764 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -62.32 -32.92 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 36.6 mm-40 -67.94 -30.5 69.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.441 ' NE2' ' C ' ' B' ' 318' ' ' GLN . 2.0 tm0? -67.39 -48.7 66.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.88 ' C ' HD13 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.54 -33.73 62.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.824 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -65.29 -55.22 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 2.2 t -57.56 -46.18 84.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.546 ' C ' ' CD1' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.71 -30.59 70.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.859 HD21 ' CD1' ' A' ' 18' ' ' LEU . 6.6 mt -67.61 -45.76 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -46.78 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.19 45.49 2.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.2 tppp? -40.97 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -71.11 -32.94 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 4.2 tp10 -50.7 -29.48 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.876 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.4 m -50.46 -26.72 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.16 -61.86 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -50.23 71.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -80.03 53.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.0 -22.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -51.04 11.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.669 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -64.94 -16.9 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.876 ' HA ' HG23 ' B' ' 329' ' ' THR . 61.2 ttt180 -44.97 -25.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -42.06 -62.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 51' ' ' LYS . 10.6 mp -92.67 -21.16 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.22 -7.71 50.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.815 ' HB ' HD12 ' B' ' 343' ' ' LEU . 1.8 pp -146.36 16.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.5 OUTLIER -53.49 -23.63 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.474 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -73.38 -22.07 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.815 HD12 ' HB ' ' B' ' 340' ' ' ILE . 94.2 mt -81.93 -45.5 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.678 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.1 p -75.96 -2.57 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.518 ' C ' ' O ' ' B' ' 344' ' ' VAL . 5.8 tt0 -29.45 -46.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.727 HG23 ' N ' ' B' ' 352' ' ' LEU . 4.6 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.727 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -123.97 43.91 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.46 ' C ' ' O ' ' B' ' 352' ' ' LEU . 7.6 t 34.5 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER 50.97 99.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.52 95.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.587 ' CG2' ' O ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -55.12 108.25 1.11 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.678 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.03 2.62 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.872 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -125.78 -63.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.527 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 165.97 -38.02 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.556 ' C ' HD22 ' B' ' 361' ' ' LEU . 44.9 t -154.9 81.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 179.1 140.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 9' ' ' SER . 60.2 m -52.12 128.51 39.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.681 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 13.08 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 7' ' ' SER . 48.8 m -102.32 -9.56 20.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -85.61 -63.96 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.877 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -40.94 -33.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.587 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.6 pt20 -70.83 -44.56 66.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ALA . 92.0 m-20 -69.94 -29.61 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 44' ' ' PHE . 6.2 tt -63.5 -69.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.941 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.92 -29.46 60.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.0 ttm-85 -74.46 -24.84 59.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -78.56 -45.75 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.096 HD22 HD21 ' B' ' 323' ' ' LEU . 2.6 mt -49.55 -25.68 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -58.85 -23.79 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.642 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -60.04 -173.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 88.0 84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.5 OUTLIER 161.67 -63.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.05 -95.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -60.11 -52.78 63.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.646 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -29.9 -62.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -41.92 -49.85 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.83 -26.71 61.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.547 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.6 mt-30 -71.04 -54.68 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.942 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -57.18 -51.95 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.537 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.45 -33.79 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 2.7 m-20 -60.03 -68.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.65 -52.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.942 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.08 -30.85 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -85.74 -36.86 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -78.75 -4.84 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD22 ' A' ' 40' ' ' LEU . 12.7 m-80 -162.15 111.39 1.14 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -45.76 -33.22 2.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -69.49 -46.21 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.35 -35.06 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.32 -43.81 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -61.05 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.78 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.3 t80 -53.42 -56.67 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.697 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.85 -37.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -66.41 -42.56 87.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.858 ' CD ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.51 -19.69 59.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.5 ttt180 -88.6 -29.47 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 13.5 t -95.29 -13.3 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.95 -11.44 8.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.7 OUTLIER -90.38 -24.54 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -106.53 -49.2 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -47.17 -32.45 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -61.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.1 m-20 -57.55 -49.99 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.6 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.5 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.9 tt0 -40.81 -56.1 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.933 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -59.07 -31.83 69.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.933 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -74.64 -32.63 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.57 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.22 -62.06 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.979 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -60.08 -49.88 75.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 5.0 mm-40 -43.23 -40.58 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.69 -42.54 77.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.02 -57.48 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.979 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.2 OUTLIER -55.19 -44.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -56.71 -40.53 75.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.724 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -75.1 -32.07 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 1.096 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -61.18 -46.61 89.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -54.37 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.78 47.92 3.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.57 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 1.5 tppp? -40.86 119.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -37.89 55.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.5 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 0.8 OUTLIER -45.83 -25.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.526 HG23 ' HA ' ' B' ' 336' ' ' ARG . 4.0 m -50.69 -26.27 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.41 -71.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.51 72.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.86 51.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.11 -22.63 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.826 ' C ' HD22 ' B' ' 334' ' ' LEU . 0.0 OUTLIER -76.89 -28.78 55.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.826 ' N ' HD22 ' B' ' 334' ' ' LEU . 4.0 m-20 -81.15 -18.17 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -43.21 -32.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.546 ' CB ' HD22 ' B' ' 355' ' ' LEU . . . -41.73 -60.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' B' ' 355' ' ' LEU . 0.3 OUTLIER -103.06 -12.19 17.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.6 -55.27 2.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.749 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.7 pp -101.6 12.42 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.9 OUTLIER -55.3 -18.59 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.5 ' HZ3' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -78.09 -8.77 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.653 HD12 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mt -94.92 -45.42 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -69.17 -7.55 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -32.17 -38.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.818 HG11 HD23 ' B' ' 361' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.803 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.31 65.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.448 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.7 m 35.88 -141.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.5 OUTLIER 69.36 -169.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -38.93 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 354' ' ' LYS . 3.7 m -38.63 99.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.801 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.97 2.98 6.01 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.577 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.45 -49.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 162.64 -43.72 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 361' ' ' LEU . 38.5 p -156.8 90.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.818 HD23 HG11 ' B' ' 351' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -169.07 155.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.468 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.0 m -57.69 132.38 82.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.879 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -17.63 19.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -88.3 -32.22 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -58.29 -55.98 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.993 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -40.13 -46.41 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 21.9 mt-30 -58.9 -42.9 90.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 10' ' ' ALA . 68.5 m-20 -62.58 -29.75 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 44' ' ' PHE . 27.7 tp -65.83 -61.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.034 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -58.34 -33.74 69.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 14.2 ttt180 -76.92 -21.73 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.5 m -76.37 -45.6 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HE1' ' A' ' 44' ' ' PHE . 3.9 mm? -62.29 -16.28 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' SER . 6.2 mmtp -70.36 -33.1 71.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.41 -178.75 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -31.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.86 84.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.605 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.84 -60.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -101.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.7 mt-30 -61.86 -52.31 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.78 -61.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -42.05 -49.82 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.5 mt-30 -72.87 -28.07 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.756 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.2 mt-30 -67.1 -52.13 45.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.76 -51.84 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.05 -33.09 74.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 15.8 m-20 -64.69 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -53.54 -46.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -56.96 -28.21 62.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -89.68 -50.12 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -4.14 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 1.084 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -157.71 105.99 1.79 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB2' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.29 -26.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.084 HD12 ' CB ' ' A' ' 37' ' ' ASN . 34.4 mt -76.7 -55.1 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 45' ' ' ILE . 12.6 ttt -47.52 -43.23 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.06 -45.6 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -54.48 13.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 34' ' ' LEU . 26.6 t80 -58.58 -56.85 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.58 -39.91 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mmpt? -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.772 ' OE1' HG13 ' B' ' 320' ' ' VAL . 36.5 tp60 -77.45 -19.29 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -83.45 -31.08 26.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 53' ' ' VAL . 2.7 t -101.18 -11.1 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -54.61 -15.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.64 -27.98 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.735 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.88 -53.93 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.655 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.39 -26.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -69.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -61.47 -39.04 89.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.737 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 6.6 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' HD23 ' B' ' 316' ' ' LEU . 3.0 tt0 -38.85 -60.79 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.784 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.41 -33.03 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.784 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -69.34 -33.57 73.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -64.14 -61.36 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.964 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.57 -32.36 68.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 -34.53 78.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.949 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -79.04 -35.12 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.964 HG23 ' O ' ' B' ' 316' ' ' LEU . 94.1 t -69.02 -44.87 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.8 t -67.42 -43.91 80.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 15' ' ' LEU . 2.2 t80 -59.52 -40.36 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' B' ' 323' ' ' LEU . 8.5 mt -66.01 -47.98 72.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.68 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -106.01 49.19 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.517 ' HB2' ' CG2' ' B' ' 340' ' ' ILE . 1.8 tppp? -40.11 131.53 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -86.86 -30.61 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -48.64 -22.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.72 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.06 -31.5 13.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.41 -41.08 93.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.83 -49.48 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.716 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.844 ' HG3' HD22 ' B' ' 334' ' ' LEU . 10.2 pt-20 -51.4 -22.72 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.844 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.0 mm? -79.23 -53.5 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 13.5 m-20 -69.34 -14.11 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.72 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.6 -29.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -34.43 -62.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 51' ' ' LYS . 10.4 mp -93.66 -24.16 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.75 -19.16 12.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.762 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.5 pp -140.83 16.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.63 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -64.33 -9.85 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.716 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -90.96 -10.94 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.88 ' O ' HD12 ' B' ' 343' ' ' LEU . 0.2 OUTLIER -97.88 -16.63 19.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 351' ' ' VAL . 0.6 OUTLIER -97.95 -7.35 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.511 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 8.0 pt20 -33.54 -36.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.867 HG23 ' H ' ' B' ' 353' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.692 HD22 ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -59.4 -12.31 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.867 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.12 -60.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -39.16 137.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.43 -165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.64 HG12 HD23 ' B' ' 361' ' ' LEU . 1.1 m -135.23 96.77 13.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.505 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.04 1.27 7.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.808 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -128.61 -75.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 172.88 78.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 92.81 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.808 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.608 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -156.0 156.96 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.608 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.39 129.91 80.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.907 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -12.15 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -81.12 -32.4 33.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -57.27 -62.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.907 HD21 ' HA ' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -40.21 -52.58 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.62 -42.41 74.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ALA . 90.2 m-20 -67.02 -29.4 69.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 40' ' ' LEU . 12.8 tp -63.93 -70.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -31.34 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 20.3 ttm180 -75.35 -23.57 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.726 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -76.15 -49.5 17.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.083 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.717 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mm? -51.23 -22.15 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.6 mptp? -60.62 -35.21 75.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.572 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.37 -178.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -25.13 12.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 5.2 m 77.98 84.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.058 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.615 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 163.86 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -102.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.6 tt0 -59.99 -48.88 79.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.6 tm0? -33.2 -58.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -43.07 -49.74 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.1 mt-30 -72.53 -25.32 61.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.726 ' CB ' HG23 ' A' ' 17' ' ' THR . 11.3 mt-30 -69.28 -50.54 45.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -61.76 -51.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.88 -33.69 74.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -60.21 -69.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.92 -51.23 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -50.06 -29.34 8.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.0 mtmm -90.04 -43.76 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -73.04 -3.49 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.613 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.8 m-80 -160.72 107.04 1.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.3 tp60 -51.14 -17.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.962 HD11 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -79.7 -51.42 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -52.98 -26.42 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -49.38 -43.57 44.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.4 -61.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.95 ' HB2' HD21 ' A' ' 14' ' ' LEU . 8.0 t80 -57.15 -57.7 11.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.23 -50.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.39 -40.69 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' HG3' HD12 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.579 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -73.58 -43.99 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.4 t -76.12 -18.66 59.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.07 -10.71 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -94.74 -26.95 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 1.08 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -102.52 -49.96 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.21 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.33 -58.98 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.52 -49.98 60.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.628 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 15.9 tt0 -34.71 -59.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.816 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -57.37 -42.89 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.816 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -60.64 -39.81 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.74 HD23 HD22 ' A' ' 11' ' ' LEU . 11.1 mp -55.49 -44.03 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.871 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.14 -33.87 61.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 3.5 mt-10 -64.25 -28.73 69.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.77 -51.2 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.2 -47.96 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 316' ' ' LEU . 89.8 t -54.94 -53.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.8 m -51.91 -51.31 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.84 -30.63 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.7 mt -67.46 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -52.99 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.63 50.78 4.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.505 ' HA ' ' NZ ' ' B' ' 326' ' ' LYS . 0.7 OUTLIER -43.26 124.91 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.747 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.47 -38.0 74.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.73 -31.95 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.4 -30.24 11.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.33 -50.26 74.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 17.9 tp -77.96 -49.13 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.756 ' HB1' ' HZ1' ' B' ' 342' ' ' LYS . . . -81.01 49.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.653 ' HG3' HD12 ' B' ' 334' ' ' LEU . 18.2 pt-20 -53.27 -22.74 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' B' ' 333' ' ' GLU . 8.6 mp -76.48 -52.02 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.833 ' HB2' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -71.29 -14.4 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' B' ' 337' ' ' ALA . 7.0 ttm180 -38.23 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -36.09 -61.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' B' ' 341' ' ' ASP . 2.2 mm? -79.87 -30.74 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.58 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 69.24 8.36 58.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.743 ' O ' HG12 ' B' ' 344' ' ' VAL . 2.7 pp -155.93 21.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -68.15 -2.01 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.833 ' HZ1' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -89.31 -41.1 12.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.604 HD21 ' HB ' ' B' ' 340' ' ' ILE . 2.2 pp -72.53 -11.12 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.743 HG12 ' O ' ' B' ' 340' ' ' ILE . 1.6 p -116.36 -4.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' B' ' 358' ' ' ARG . 0.8 OUTLIER -31.71 -48.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.729 HG23 ' N ' ' B' ' 352' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 1.08 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.64 45.71 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.546 ' N ' HG23 ' B' ' 351' ' ' VAL . 2.0 t 29.16 51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.864 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.3 OUTLIER -94.76 103.49 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.457 ' C ' HG22 ' B' ' 356' ' ' VAL . 1.4 mm? 43.37 31.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 355' ' ' LEU . 6.5 m 43.09 94.84 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.43 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.97 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.771 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.1 ttp85 -120.19 -67.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 149.41 67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 89.68 76.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.771 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.546 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -167.05 161.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.447 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -72.3 131.43 84.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.668 ' O ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 6.96 3.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -101.35 -9.39 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.08 -61.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.821 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -46.29 -30.44 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.4 mt-30 -70.98 -38.66 72.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ALA . 3.0 m-20 -76.87 -29.5 55.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.978 HD12 HD11 ' A' ' 40' ' ' LEU . 5.2 tt -62.7 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -62.35 -35.94 80.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.2 ttt-85 -71.99 -18.79 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -77.62 -49.69 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.1 mm? -48.66 -26.51 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -56.09 -37.5 69.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.574 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.2 -178.21 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.91 -32.3 5.64 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.54 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.6 m 85.86 82.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.602 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 164.31 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -74.99 -102.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 tt0 -60.78 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.4 tm0? -32.43 -59.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.566 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.73 -50.16 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.566 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.16 -26.25 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.7 mt-30 -67.66 -51.33 51.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.906 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.2 m -60.08 -50.8 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -63.03 -37.34 86.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 36' ' ' SER . 3.7 m-20 -54.53 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.24 -47.53 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.906 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.39 -33.93 45.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -92.53 -26.23 18.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.3 t -86.83 -2.39 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 33' ' ' ILE . 14.2 m-80 -162.62 111.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.02 -66.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.7 tt0 -45.62 -32.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.978 HD11 HD12 ' A' ' 14' ' ' LEU . 3.1 tm? -74.33 -41.9 60.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 45' ' ' ILE . 8.2 ttt -58.21 -36.08 72.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.58 -38.34 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.846 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.6 t80 -60.7 -55.93 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -40.71 -49.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.68 -42.99 97.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' NE2' HG13 ' B' ' 320' ' ' VAL . 20.2 mm-40 -54.31 -45.33 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.881 ' NH1' HD22 ' B' ' 343' ' ' LEU . 1.9 mmp_? -72.53 -45.5 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.594 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -59.7 -28.5 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 53' ' ' VAL . . . -60.13 -12.34 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 1.035 ' HZ3' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -88.65 -33.14 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.923 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -96.71 -25.21 15.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.4 -28.95 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.63 62.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 30.9 m-20 -110.4 -44.75 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.779 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.4 tt0 -37.34 -60.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.905 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.74 -34.07 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.905 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.93 -30.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.687 HD23 ' HG ' ' A' ' 11' ' ' LEU . 11.0 mp -66.19 -62.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.958 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.83 -31.86 68.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 28.4 mm-40 -64.8 -37.7 88.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.19 -45.06 86.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -71.09 -39.8 71.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.958 HG23 ' O ' ' B' ' 316' ' ' LEU . 53.8 t -59.16 -52.17 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -42.96 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.516 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.719 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.3 mt -72.63 -35.8 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -46.15 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.24 50.16 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.583 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.2 OUTLIER -42.6 113.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -38.32 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' B' ' 328' ' ' GLU . 0.1 OUTLIER -46.29 -36.14 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.78 -31.3 16.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -55.01 -66.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -52.55 64.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.591 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . . . -80.37 52.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.46 -22.56 3.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -52.32 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.557 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.7 m-20 -62.42 -14.77 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' B' ' 329' ' ' THR . 0.1 OUTLIER -42.4 -26.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.73 ' C ' HD23 ' B' ' 338' ' ' LEU . . . -44.45 -43.97 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 1.035 HD13 ' HZ3' ' A' ' 51' ' ' LYS . 1.6 mt -110.17 -19.68 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.24 -53.96 1.86 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.742 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -105.75 20.06 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.703 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -58.56 -11.61 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.591 ' HZ2' ' HB3' ' B' ' 332' ' ' ALA . 3.3 mppt? -87.86 -25.84 23.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.881 HD22 ' NH1' ' A' ' 48' ' ' ARG . 1.1 mp -83.56 -41.49 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.812 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.1 p -75.06 -10.61 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.515 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.3 OUTLIER -29.02 -46.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.663 HG11 ' O ' ' B' ' 344' ' ' VAL . 28.3 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.923 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -72.7 89.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.713 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.9 p -43.42 -33.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -49.12 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.2 OUTLIER -69.48 60.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.713 HG13 ' O ' ' B' ' 353' ' ' SER . 7.6 m -38.38 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.812 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 2.45 6.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.705 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.97 -46.35 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.636 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 165.14 -62.37 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.441 ' N ' HD22 ' B' ' 361' ' ' LEU . 1.7 t -134.37 -50.51 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.559 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 177.13 170.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.5 m -89.77 132.93 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 1.084 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.02 2.65 6.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.1 p -103.13 -11.2 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -77.18 -56.53 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.084 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.23 -26.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.712 ' H ' HD22 ' A' ' 11' ' ' LEU . 20.9 mt-30 -73.71 -40.14 63.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.6 m-20 -76.55 -29.67 56.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.93 -64.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.04 -33.48 67.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 9.6 ttm-85 -73.82 -28.3 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.841 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.9 m -66.92 -41.3 87.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.4 mm? -61.63 -22.02 64.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 5.3 mmtt -60.76 -37.96 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.55 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.55 -178.82 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.548 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 m 86.38 83.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.591 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.64 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -102.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.65 -49.07 79.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.0 tm0? -33.26 -59.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.555 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 5.0 pt20 -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 tt0 -72.47 -26.7 61.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.841 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.5 mt-30 -71.06 -53.92 12.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -55.91 -50.29 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.78 -31.57 72.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' SER . 5.1 m-20 -61.43 -58.18 9.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -68.69 -43.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -56.82 -32.33 65.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.6 ptpt -92.07 -31.0 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASN . 51.9 m -86.15 -1.18 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.696 ' HB3' HD23 ' A' ' 40' ' ' LEU . 20.3 m-80 -163.24 113.42 1.03 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.7 tp60 -47.59 -32.94 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.696 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.2 mm? -68.8 -54.74 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.0 tmm? -52.62 -39.98 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -48.91 -45.79 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' B' ' 316' ' ' LEU . . . -68.14 -61.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 18' ' ' LEU . 4.5 t80 -53.14 -56.57 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -47.54 -43.42 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -59.63 -40.68 88.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tm0? -67.41 -45.05 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.0 mtm180 -60.39 -52.5 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.4 t -68.02 -24.18 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.385 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.11 -9.45 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.7 tptt -92.25 -27.47 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.856 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -104.37 -50.8 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.51 -35.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.8 -59.05 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 65.5 m-20 -62.07 -47.65 83.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 17.1 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.851 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.1 tt0 -41.94 -53.23 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.78 -33.23 9.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -71.89 -35.35 69.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -59.21 -61.52 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.949 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.41 -37.67 75.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.592 ' HA ' HG22 ' B' ' 320' ' ' VAL . 14.4 mm-40 -57.12 -33.4 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.543 ' HG2' ' N ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -71.69 -46.15 59.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.759 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -71.76 -56.34 5.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.949 HG13 ' O ' ' B' ' 316' ' ' LEU . 3.7 m -50.44 -39.84 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.5 m -60.29 -54.5 44.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.67 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.557 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 3.0 mt -70.14 -37.75 75.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.66 -51.93 58.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.59 53.4 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.557 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -41.21 118.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -39.68 68.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.432 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . 2.5 tp10 -47.78 -24.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.605 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.9 m -51.45 -37.59 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -49.63 76.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.52 -50.87 41.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.83 52.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 14.7 pt-20 -51.68 -22.36 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.84 -35.74 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.628 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.8 m-20 -78.56 -14.61 59.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.605 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.37 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.0 -63.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.916 HD22 ' OD1' ' B' ' 341' ' ' ASP . 8.3 mp -93.55 -23.17 18.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.583 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 75.86 -6.69 32.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.6 pp -155.58 22.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.916 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -49.7 -30.55 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.3 OUTLIER -61.58 -29.26 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.462 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 2.9 mp -79.4 -25.56 42.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.856 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -88.51 -6.36 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.469 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 8.8 tt0 -36.57 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.873 HG23 ' H ' ' B' ' 353' ' ' SER . 18.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -100.85 -8.37 22.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.873 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.04 -56.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' B' ' 353' ' ' SER . 1.5 ttmt -40.65 109.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 66.21 79.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 361' ' ' LEU . 5.7 m -39.86 101.18 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.43 6.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.727 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -116.71 -34.34 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 133.64 -53.14 0.8 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.555 ' C ' HD22 ' B' ' 361' ' ' LEU . 22.7 t -150.56 93.49 1.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 0.793 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.797 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.553 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -152.72 158.61 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.553 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.51 148.14 98.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.667 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -65.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -34.86 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -60.97 -58.47 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.076 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.64 -32.73 52.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' N ' HD22 ' A' ' 11' ' ' LEU . 4.9 mt-30 -74.47 -31.06 62.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -74.25 -32.36 62.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 319' ' ' LEU . 1.1 tp -68.21 -60.39 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -52.64 -38.34 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.6 ttm180 -76.45 -23.2 53.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.87 HD22 HD21 ' B' ' 323' ' ' LEU . 3.3 mt -63.73 -25.3 68.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.9 mptp? -59.0 -24.89 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.649 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -58.51 -173.75 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.04 -36.54 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.582 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 89.42 74.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 171.7 -62.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.983 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -95.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -57.36 -52.39 65.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 17' ' ' THR . 36.1 tp60 -28.48 -62.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.544 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -42.46 -49.74 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -72.66 -27.18 61.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.64 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -72.3 -54.5 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.858 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -55.7 -49.83 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.93 -32.1 73.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' SER . 1.9 m-20 -59.42 -59.08 6.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -68.71 -44.38 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.58 -31.93 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -93.38 -28.23 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASN . 50.9 m -89.25 1.2 56.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.1 m-80 -163.16 111.89 1.03 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.04 -68.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.507 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 43.0 tp60 -45.88 -27.46 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD11 ' CD2' ' A' ' 14' ' ' LEU . 3.3 tm? -74.91 -53.68 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -54.21 -26.98 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -60.81 -40.5 92.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.45 -56.25 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.722 ' CZ ' HD23 ' B' ' 343' ' ' LEU . 2.7 t80 -58.94 -57.54 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.545 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.13 -35.35 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.681 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.5 mmmt -75.65 -32.66 60.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.5 tp60 -72.62 -46.96 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.61 -37.33 79.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -77.43 -20.21 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.22 -10.58 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.62 -29.31 20.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 1.014 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -102.84 -53.66 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.16 -27.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.14 -69.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -60.65 -38.94 86.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.512 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.692 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.0 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.603 ' O ' HD23 ' B' ' 316' ' ' LEU . 74.5 tt0 -37.83 -54.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.906 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -63.96 -36.5 84.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.906 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.47 -29.01 68.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 11' ' ' LEU . 10.9 mp -66.93 -61.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.773 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -62.19 -31.63 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -68.48 -35.13 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -64.13 -50.96 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.769 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.74 -34.48 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 316' ' ' LEU . 4.9 t -61.45 -55.0 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -43.29 79.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -64.33 -32.68 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.87 HD21 HD22 ' A' ' 18' ' ' LEU . 5.5 mt -68.11 -45.23 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -41.56 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.48 45.36 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.9 OUTLIER -41.68 124.2 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 13.5 m-20 -76.8 -33.67 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -32.42 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.5 OUTLIER -67.5 -33.97 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -53.87 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.29 53.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.735 ' HG3' HD22 ' B' ' 334' ' ' LEU . 16.2 pt-20 -47.54 -23.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -74.82 -49.34 21.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.61 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -66.2 -14.38 61.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' B' ' 335' ' ' ASP . 5.8 tmm_? -35.9 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -50.16 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' B' ' 341' ' ' ASP . 0.9 OUTLIER -86.65 -29.71 22.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.593 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.46 -0.13 43.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.593 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.5 pp -156.08 22.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.667 ' HB2' HD23 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -52.1 -20.4 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 2.4 mptt -73.68 -25.79 60.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.722 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 2.0 mp -88.12 -14.82 37.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 1.014 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -95.32 -4.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' B' ' 345' ' ' GLN . 4.2 pm0 -39.2 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.405 HG11 ' HG2' ' B' ' 357' ' ' PRO . 6.3 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.75 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -120.15 -5.47 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.455 ' N ' HD22 ' B' ' 352' ' ' LEU . 14.8 t -50.31 -179.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.055 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -31.87 10.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.59 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.7 mt -110.02 -99.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.59 HG13 ' O ' ' B' ' 355' ' ' LEU . 2.2 m -156.71 108.26 1.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.483 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -74.98 2.9 6.11 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.794 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.8 OUTLIER -121.19 -51.32 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 154.9 -47.28 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.505 ' C ' HD22 ' B' ' 361' ' ' LEU . 85.2 p -155.09 86.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.798 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -174.15 159.25 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 9' ' ' SER . 6.1 m -75.49 129.19 82.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.881 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 10.78 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 7' ' ' SER . 15.4 m -102.26 -10.75 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -80.96 -60.22 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.63 -32.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.746 ' H ' HD22 ' A' ' 11' ' ' LEU . 26.3 mt-30 -73.88 -41.09 62.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 40.7 m-20 -69.63 -28.06 65.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -65.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.04 -39.86 43.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.5 ttm105 -70.01 -28.98 65.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.55 -40.8 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.949 HD22 HD21 ' B' ' 323' ' ' LEU . 3.5 mt -63.87 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 11.1 mmtt -52.96 -22.97 6.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.691 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 p -60.3 -171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.691 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -74.98 -35.16 3.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.639 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 85.2 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.631 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -62.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -96.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.7 mt-30 -60.98 -52.13 66.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.688 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -29.21 -62.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -40.64 -50.65 3.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -73.16 -28.65 62.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -67.71 -54.01 22.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -57.58 -53.91 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.54 -35.57 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.8 m-20 -60.2 -69.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -53.57 -60.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.05 -29.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.7 mttm -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.9 m -72.28 -8.09 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.693 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 11.2 m-80 -158.98 96.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.03 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.7 tt0 -45.26 -23.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 14' ' ' LEU . 3.4 tm? -83.96 -45.5 13.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -49.91 -24.33 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.45 -38.7 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.89 -61.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 1.4 t80 -57.53 -56.72 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.21 -46.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.6 mmmt -63.7 -38.74 92.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -62.42 -49.98 73.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.527 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.12 -35.47 80.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.633 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -76.48 -18.25 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.387 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.63 -9.13 12.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.684 ' HG2' HD11 ' B' ' 340' ' ' ILE . 13.6 tptt -92.43 -23.04 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.887 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -109.06 -51.18 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.493 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.03 -32.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -62.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 7.6 m-20 -54.48 -46.81 73.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.766 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.2 tt0 -36.89 -57.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.99 -36.85 82.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.766 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -65.68 -35.5 80.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.592 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.1 -62.03 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.978 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.38 -42.9 88.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 25.4 mm-40 -46.38 -41.7 13.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.59 -35.93 68.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.58 -47.01 57.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.978 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -65.52 -37.79 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -66.54 -46.25 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -31.14 72.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.949 HD21 HD22 ' A' ' 18' ' ' LEU . 10.6 mt -68.42 -45.63 72.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -46.98 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.23 52.33 1.08 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.478 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.8 tppp? -41.57 107.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -28.3 66.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.26 -25.38 47.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.62 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.7 m -56.69 -38.75 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.84 -47.42 84.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.69 -48.28 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.83 54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.868 ' HG3' HD12 ' B' ' 334' ' ' LEU . 12.1 pt-20 -46.45 -23.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.868 HD12 ' HG3' ' B' ' 333' ' ' GLU . 11.1 mp -77.47 -45.43 25.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.612 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.4 OUTLIER -70.73 -16.63 62.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.62 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.4 tmm_? -42.24 -27.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -47.12 -61.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' B' ' 341' ' ' ASP . 5.4 mp -95.14 -23.3 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.44 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 82.15 -17.44 17.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.684 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -152.55 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.709 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -47.9 -35.54 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -60.69 -29.5 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -80.35 -35.4 35.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.887 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -75.96 -3.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 9.7 pt20 -42.56 -30.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.492 HG12 ' O ' ' B' ' 344' ' ' VAL . 5.9 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.729 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -110.35 -8.61 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.453 ' N ' HD22 ' B' ' 352' ' ' LEU . 15.5 t -45.55 171.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -99.66 -31.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.99 -108.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.511 HG12 HD23 ' B' ' 361' ' ' LEU . 12.0 m -147.07 103.67 3.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.491 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -74.98 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.845 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.78 -70.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.638 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 153.83 71.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.0 t 86.2 80.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.66 HG21 ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 176.77 151.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.512 ' H ' HD13 ' A' ' 6' ' ' ILE . 28.2 m -61.13 151.58 74.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.584 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -22.38 -51.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -43.81 -64.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.075 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.38 -34.75 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -70.57 -28.8 65.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' ALA . 70.8 m-20 -75.19 -32.52 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.5 tm? -67.14 -60.53 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.96 -34.45 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 29.8 ttt180 -75.3 -25.11 57.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.793 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -71.56 -36.56 70.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' B' ' 323' ' ' LEU . 1.7 mm? -66.6 -31.14 71.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 28.7 mmtt -52.34 -33.31 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -51.35 -175.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.3 p 90.48 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.636 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 159.75 -62.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.68 -51.46 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.669 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.8 tm0? -30.77 -61.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.3 pt20 -43.13 -49.93 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.4 mt-30 -72.31 -25.37 61.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.793 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.61 -51.17 37.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.85 -52.06 66.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.41 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.9 m-20 -58.97 -60.35 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.42 -59.8 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -38.32 -34.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.3 mttm -61.77 -53.71 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ILE . 58.4 m -101.76 21.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 m-80 -121.92 89.47 48.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.434 1.755 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.8 tp60 -81.04 -15.29 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.66 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -78.9 -54.69 5.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 24.4 ptt? -57.04 -28.09 62.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.39 -44.82 45.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.623 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.5 -60.85 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.755 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 t80 -54.51 -56.71 16.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -46.96 -36.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.3 mmpt? -73.23 -32.73 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 mm-40 -71.76 -48.0 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.8 ptt180 -67.28 -43.37 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HA ' ' A' ' 46' ' ' LYS . 4.8 t -71.77 -26.33 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.54 -11.53 11.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.699 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -88.09 -27.44 21.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CD1' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.42 -52.54 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.09 -36.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -65.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.546 HD21 ' NZ ' ' A' ' 51' ' ' LYS . 25.3 m-20 -57.52 -47.87 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 pp0? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.611 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 4.4 tt0 -32.82 -59.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -56.7 -46.13 81.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.611 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -54.84 -41.16 70.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -57.81 -43.32 85.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 320' ' ' VAL . 2.4 mt -71.7 -32.36 67.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' B' ' 321' ' ' SER . 4.1 mt-10 -63.59 -32.88 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -50.06 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.806 HD12 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -69.38 -56.78 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 316' ' ' LEU . 71.4 t -48.94 -54.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -50.42 -54.18 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.94 -30.79 70.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.1 mt -65.43 -48.01 74.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.74 -54.36 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -83.3 48.55 4.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.624 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.6 tppp? -44.42 130.71 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.99 -35.96 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.518 ' C ' ' HZ1' ' B' ' 342' ' ' LYS . 0.5 OUTLIER -61.21 -15.0 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.558 HG23 ' HA ' ' B' ' 336' ' ' ARG . 21.8 m -67.71 -32.46 73.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.05 -56.71 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.67 -50.8 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.92 52.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.83 -22.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' B' ' 332' ' ' ALA . 31.3 mt -77.57 -51.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.547 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 71.9 m-20 -63.82 -16.59 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.558 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.4 OUTLIER -44.02 -30.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -45.52 -48.0 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 1.026 HD12 ' OD2' ' B' ' 341' ' ' ASP . 13.4 mt -106.75 -13.8 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.7 -55.8 1.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -101.29 18.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 1.026 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.84 -19.2 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.614 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -83.27 -12.45 56.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.804 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.3 mm? -94.61 -15.11 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.535 ' HB ' ' CB ' ' B' ' 357' ' ' PRO . 2.2 t -100.14 -12.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.439 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 15.3 tt0 -36.94 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 351' ' ' VAL . 13.7 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.668 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER 28.83 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.5 m 152.0 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -56.96 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' B' ' 338' ' ' LEU . 24.6 mt -68.92 63.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.782 HG21 ' O ' ' B' ' 359' ' ' GLY . 3.8 m -39.61 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.535 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.98 -3.94 14.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.13 -33.93 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.782 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 148.84 -68.72 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.434 ' C ' HD22 ' B' ' 361' ' ' LEU . 94.8 p -122.43 -61.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -156.85 152.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.692 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.5 m -60.83 153.9 61.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' GLN . 4.2 m -33.28 -38.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -44.1 -32.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.65 -43.58 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.598 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.25 -40.42 71.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' A' ' 40' ' ' LEU . 4.4 tt -67.08 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.53 -33.0 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttt180 -76.01 -32.94 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.7 m -56.75 -39.84 74.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -63.0 -29.73 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 13.3 mmtp -53.01 -34.0 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.636 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -52.26 -174.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.02 -36.76 2.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.621 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.94 82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.647 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.37 -63.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.94 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.1 mt-30 -59.84 -52.17 66.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.675 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -29.95 -61.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -42.22 -49.78 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.876 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.4 mt-30 -69.83 -53.04 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.29 -51.63 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -61.59 -33.63 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 2.1 m-20 -57.83 -64.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.694 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -63.23 -59.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.506 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -40.5 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 33' ' ' ILE . 9.2 mttm -74.8 -54.44 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 68.8 m -95.11 18.88 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.969 ' HB3' HD12 ' A' ' 40' ' ' LEU . 20.8 m120 -151.16 92.77 3.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.74 -42.58 62.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.969 HD12 ' HB3' ' A' ' 37' ' ' ASN . 19.4 mt -63.19 -55.47 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ILE . 11.1 ttt -50.43 -41.75 53.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.52 -46.9 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.53 -55.62 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -56.0 -59.58 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.569 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -44.58 -50.81 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -63.26 -36.17 82.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.506 ' HB3' HD13 ' B' ' 323' ' ' LEU . 0.4 OUTLIER -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 1.125 HH21 HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.17 -51.42 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.675 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.2 t -66.07 -15.63 63.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -64.0 -7.63 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.3 tppm? -94.0 -24.98 17.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.904 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.82 -50.21 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.57 -38.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.78 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 m-20 -68.38 -52.96 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.874 ' HA ' HD22 ' B' ' 315' ' ' LEU . 23.3 tt0 -46.72 -37.27 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.41 -30.92 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.521 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -76.62 -32.57 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.7 OUTLIER -57.84 -60.26 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.87 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.51 -50.47 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 15.3 mm-40 -43.06 -37.83 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.458 ' C ' ' CD ' ' B' ' 318' ' ' GLN . 5.6 tm0? -72.01 -45.72 59.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.44 -51.82 46.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.87 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.4 m -56.96 -40.82 74.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.7 m -59.12 -49.45 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.679 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -68.42 -32.31 72.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.727 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.9 mt -66.61 -47.37 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -54.29 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.46 56.09 2.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.84 124.36 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.29 -38.27 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -51.97 -20.89 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.746 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.6 m -53.36 -31.55 45.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.73 -60.35 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -51.46 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.66 53.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -45.83 -23.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -80.74 -52.25 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.568 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 2.2 m-20 -63.74 -15.43 58.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.1 ttt180 -43.99 -26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.36 -62.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.718 HD22 ' HD2' ' A' ' 51' ' ' LYS . 90.3 mt -95.22 -19.76 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.53 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 78.09 -6.44 49.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 1.125 HD13 HH21 ' A' ' 48' ' ' ARG . 2.3 pp -154.36 22.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.471 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 4.0 t70 -62.2 -12.74 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.94 -7.42 59.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.78 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.3 mm? -98.73 -41.43 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.676 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.8 p -74.87 -3.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.513 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 4.5 pt20 -44.83 -46.4 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' B' ' 345' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 22.4 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.904 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.21 6.82 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 7.1 m 44.55 60.55 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.863 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -99.84 112.4 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.404 ' C ' HG22 ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.69 32.57 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.404 HG22 ' C ' ' B' ' 355' ' ' LEU . 11.7 m 40.31 80.74 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.665 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.06 6.74 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.72 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -130.3 -42.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.24 -45.92 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.603 ' C ' HD22 ' B' ' 361' ' ' LEU . 31.7 t -152.93 86.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.812 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.751 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 179.31 150.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -55.34 129.74 68.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.767 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -10.11 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.76 -32.83 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -57.35 -59.26 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.033 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -41.01 -47.34 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.41 -42.42 91.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -63.99 -36.83 85.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' B' ' 319' ' ' LEU . 0.5 OUTLIER -59.91 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.8 -31.34 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 13.6 ttm180 -75.63 -20.98 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.626 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.4 m -79.27 -44.66 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -52.38 -20.52 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 4.0 mttt -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.82 -176.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.07 -33.46 4.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.55 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.82 86.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.624 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.08 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -95.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.0 mt-30 -62.74 -57.53 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.641 ' O ' HG13 ' A' ' 30' ' ' VAL . 13.8 tt0 -28.44 -62.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -39.85 -51.24 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.26 -28.19 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mt-30 -67.91 -53.7 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.4 m -56.87 -53.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.47 -32.07 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.9 m-20 -62.55 -64.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -59.96 -46.1 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -55.33 -28.87 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -84.89 -50.51 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -5.48 34.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.738 ' HB3' HD23 ' A' ' 40' ' ' LEU . 23.3 m-80 -152.18 105.44 2.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.542 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.98 -26.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 6' ' ' ILE . 1.2 mm? -78.34 -47.73 17.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.9 ttt -49.88 -47.6 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.14 -44.86 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -66.48 -62.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 10.6 t80 -54.35 -58.27 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.14 -41.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 7.1 mmmt -62.85 -38.49 91.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -68.34 -44.17 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.997 ' HD3' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -66.24 -37.47 85.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -74.74 -22.07 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.74 -11.85 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.77 ' HG2' HD11 ' B' ' 340' ' ' ILE . 57.5 tptt -89.22 -23.73 22.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -108.41 -53.33 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.95 -33.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.29 -55.72 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 m-20 -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.681 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 13.5 tt0 -35.37 -53.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.24 -42.57 96.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.681 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -57.43 -38.08 73.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 1.033 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -59.51 -51.35 70.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.975 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.7 OUTLIER -66.18 -42.35 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 51.7 mm-40 -59.21 -28.29 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.53 -50.79 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.863 ' O ' HD12 ' B' ' 319' ' ' LEU . 0.1 OUTLIER -78.22 -23.82 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 316' ' ' LEU . 55.3 t -72.56 -53.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 8.6 t -61.8 -40.26 94.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.666 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -64.93 -35.68 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.793 HD13 ' NH1' ' A' ' 48' ' ' ARG . 6.0 mt -69.26 -39.49 78.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -54.73 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.53 51.05 4.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.713 ' HZ1' HD23 ' B' ' 323' ' ' LEU . 3.0 tppt? -41.29 123.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.36 -40.14 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -46.5 -31.83 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.583 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.2 m -51.06 -30.01 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.2 -61.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.82 -48.91 77.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.874 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.68 51.94 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -51.82 -22.01 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -31.8 33.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.874 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.74 -17.1 57.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.583 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.2 mtm180 -35.49 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -40.04 -63.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.52 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.8 mm? -99.46 -21.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 76.6 -51.66 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.784 HG21 ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -113.48 23.0 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.557 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -54.04 -32.9 55.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 1.107 ' N ' ' HZ2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.69 -26.91 67.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.997 HD22 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -76.61 -48.74 18.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.1 p -71.45 -3.47 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' B' ' 344' ' ' VAL . 41.7 tt0 -33.6 -34.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.62 54.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.457 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 34.96 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 353' ' ' SER . 1.5 mtmm 54.97 105.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 356' ' ' VAL . 2.1 mm? 60.83 62.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.1 m -31.38 102.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.52 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 4.86 4.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.656 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.2 -42.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 124.07 87.62 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.8 OUTLIER 90.52 -72.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 178.74 141.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.434 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -53.72 143.16 40.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.506 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -63.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' GLN . 81.6 p -38.69 -38.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.91 -29.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' HG ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -64.3 -46.54 83.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.41 -32.95 73.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -39.86 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -65.08 -66.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -50.67 -31.14 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -77.18 -26.69 53.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.816 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -70.96 -36.46 72.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.9 mm? -69.04 -27.52 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 9.7 mmtp -53.19 -37.73 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.587 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.42 -177.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 -35.76 3.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.2 m 91.56 83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.98 -60.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -95.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' GLN . 36.6 mt-30 -63.0 -54.81 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tt0 -29.93 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.547 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.6 pt20 -40.51 -49.89 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -74.55 -27.99 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.816 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.8 mt-30 -69.15 -52.63 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.85 -52.73 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.37 -32.66 74.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.0 m-20 -59.13 -54.89 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -76.07 -43.54 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -55.67 -30.17 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -90.81 -32.79 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -89.87 4.26 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.606 ' N ' ' O ' ' A' ' 33' ' ' ILE . 25.2 m-80 -158.77 109.43 1.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -59.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.575 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.8 tt0 -47.31 -23.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -84.14 -42.59 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.5 ttt -50.4 -55.59 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.63 -33.88 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -68.86 -61.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.804 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.8 t80 -60.92 -55.21 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.583 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -41.73 -51.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -62.51 -38.05 88.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.809 ' OE1' HG13 ' B' ' 320' ' ' VAL . 10.7 tp60 -63.07 -32.62 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 1.042 HH21 HD13 ' B' ' 323' ' ' LEU . 4.4 mmp_? -77.64 -45.4 25.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.686 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -70.98 -15.08 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -11.14 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.2 tppt? -93.5 -25.85 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.696 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -103.78 -48.5 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.49 -39.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.26 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.8 m-20 -64.16 -52.12 60.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.978 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.783 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.608 ' O ' HD23 ' B' ' 316' ' ' LEU . 2.6 tt0 -36.79 -53.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.563 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.2 OUTLIER -66.06 -36.54 83.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.783 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -64.55 -33.96 77.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 11' ' ' LEU . 10.3 mp -65.76 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.789 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -59.95 -29.53 68.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.6 mm-40 -68.74 -33.83 74.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -46.18 78.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.854 ' C ' HD13 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.46 -35.27 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.843 ' N ' HD13 ' B' ' 319' ' ' LEU . 23.1 t -64.06 -54.69 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.2 t -57.26 -45.72 83.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.047 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.522 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.54 -32.3 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 1.042 HD13 HH21 ' A' ' 48' ' ' ARG . 4.0 mt -72.27 -34.93 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -54.36 47.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.9 56.29 2.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.499 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -49.76 120.5 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.79 -36.01 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -46.55 -29.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.564 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.6 m -55.25 -31.44 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.51 -61.14 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.14 -42.45 98.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -81.36 48.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.62 ' HG3' HD22 ' B' ' 334' ' ' LEU . 6.8 pt-20 -52.47 -25.94 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.8 mm? -83.08 -50.41 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.801 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 12.9 t70 -68.7 -13.1 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.564 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.1 OUTLIER -37.66 -29.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -35.6 -52.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -110.41 -15.98 13.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 67.99 -56.67 0.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.887 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.7 pp -101.76 19.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.512 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 15.7 t70 -54.21 -15.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.677 ' HZ1' ' HB2' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.65 -25.27 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.887 HD13 ' HB ' ' B' ' 340' ' ' ILE . 5.4 mp -80.41 -32.66 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 357' ' ' PRO . 2.9 p -87.75 -4.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' B' ' 358' ' ' ARG . 1.3 tt0 -32.41 -45.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.989 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.937 HG22 ' H ' ' B' ' 353' ' ' SER . 2.5 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.726 HD13 ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -61.08 -11.76 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.937 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.7 OUTLIER 57.54 -154.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.048 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.42 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.625 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.5 mt -77.41 57.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' B' ' 356' ' ' VAL . 1.5 m -19.5 99.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.566 ' HB2' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 8.57 2.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.772 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.4 tmt_? -131.74 -72.22 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.587 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 179.48 -37.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.3 t -160.37 80.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.788 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.515 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.31 149.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' SER . 19.3 m -66.94 132.48 93.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 13.19 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 7' ' ' SER . 16.4 m -100.37 -11.84 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -81.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.911 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.17 -34.97 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' H ' HD22 ' A' ' 11' ' ' LEU . 64.9 mt-30 -67.79 -40.56 83.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.0 m-20 -72.5 -27.81 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CD2' ' A' ' 44' ' ' PHE . 13.7 tp -60.89 -64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.09 -37.5 74.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 ttt85 -66.37 -27.46 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.628 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' B' ' 322' ' ' PHE . 4.1 mt -47.74 -29.37 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.1 24.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.689 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.92 -171.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.689 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.616 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.78 81.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.635 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 164.35 -62.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -93.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 mm-40 -59.77 -52.25 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -29.09 -62.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.6 pt20 -40.76 -49.49 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.17 -29.99 62.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.628 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -69.13 -52.94 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -58.55 -53.29 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -61.49 -38.06 85.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.5 m-20 -53.26 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.64 -49.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.73 HD12 ' NH2' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -47.25 -32.7 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.72 -25.93 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -85.19 -3.01 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.6 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.3 m-80 -164.13 112.49 0.93 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.515 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.0 tp-100 -45.28 -34.9 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD22 ' A' ' 14' ' ' LEU . 1.8 tm? -69.61 -47.16 64.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.652 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.1 ttt -55.51 -35.91 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.06 -36.28 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.92 -60.61 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.882 ' CD2' HD11 ' A' ' 14' ' ' LEU . 11.6 t80 -55.69 -54.79 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.43 -42.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -60.96 -40.88 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG2' HG23 ' B' ' 320' ' ' VAL . 9.4 mm-40 -68.88 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.73 ' NH2' HD12 ' A' ' 34' ' ' LEU . 9.0 mtm180 -62.91 -50.92 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.667 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -72.23 -19.99 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.38 -9.97 6.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE3' HD13 ' B' ' 338' ' ' LEU . 21.2 tptp -96.01 -24.57 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.777 ' CD1' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -104.79 -43.91 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -55.33 -25.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.24 13.2 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER 179.86 50.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm100 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.611 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -38.92 -50.7 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.846 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.26 -36.62 84.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.846 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.98 -32.9 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -64.93 -60.99 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.428 ' O ' HG12 ' B' ' 320' ' ' VAL . 1.9 pp -61.88 -30.59 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' B' ' 320' ' ' VAL . 7.7 mm-40 -68.52 -29.28 67.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 17.4 tt0 -75.56 -45.8 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.984 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -66.66 -49.16 67.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.984 ' N ' HD13 ' B' ' 319' ' ' LEU . 9.9 p -57.98 -48.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.449 ' N ' HG13 ' B' ' 320' ' ' VAL . 42.2 t -60.27 -45.32 93.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.98 -30.91 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.779 HD21 ' CD2' ' A' ' 18' ' ' LEU . 9.4 mt -64.85 -47.85 76.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -39.63 57.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -107.88 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -41.22 136.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -33.68 16.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -47.08 -24.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 62.5 m -54.29 -28.06 39.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -63.73 -71.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -48.9 63.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.06 53.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.759 ' HB2' HH21 ' B' ' 336' ' ' ARG . 16.2 pt-20 -50.41 -22.11 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -33.55 31.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.881 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.36 -13.83 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.759 HH21 ' HB2' ' B' ' 333' ' ' GLU . 12.9 mtm180 -36.09 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -43.69 -62.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.682 HD13 ' HE3' ' A' ' 51' ' ' LYS . 30.3 mt -103.81 -21.35 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.422 ' C ' ' OD2' ' B' ' 335' ' ' ASP . . . 69.27 -51.45 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.737 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -101.11 20.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.638 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -67.1 -2.16 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.645 ' N ' ' HD2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -90.08 -50.41 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.852 HD12 ' N ' ' B' ' 344' ' ' VAL . 1.4 pp -59.81 -24.35 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.852 ' N ' HD12 ' B' ' 343' ' ' LEU . 2.5 p -94.33 -12.91 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' B' ' 344' ' ' VAL . 20.4 tt0 -30.84 -40.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.48 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.777 HD22 ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 39.99 -103.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.4 t 147.19 -53.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -39.33 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -69.05 64.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.631 HG13 ' O ' ' B' ' 353' ' ' SER . 1.1 m -38.26 98.59 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.622 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.02 4.29 4.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.674 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.69 -49.92 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 125.51 73.24 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 84.92 79.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.958 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -158.95 152.71 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.494 ' H ' HD13 ' A' ' 6' ' ' ILE . 1.5 t -66.76 153.51 93.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -31.87 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.47 -56.2 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.97 -31.66 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.577 ' N ' HD22 ' A' ' 11' ' ' LEU . 6.0 mt-30 -74.39 -30.39 61.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.4 m-20 -77.15 -30.57 55.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -69.45 -64.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.019 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.85 -42.33 65.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 16.8 ttt180 -65.7 -41.16 92.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -53.83 -35.93 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.0 mm? -69.7 -24.08 63.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.4 mmtp -59.23 -34.14 71.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.43 -177.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -31.6 6.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.517 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.31 84.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.02 -102.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.34 -50.71 72.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.654 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -32.16 -60.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -41.71 -48.68 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.533 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 mt-30 -73.35 -28.44 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.81 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.7 mt-30 -67.16 -51.23 56.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -60.29 -54.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.23 -35.06 76.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.2 m-20 -58.87 -64.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.62 -60.62 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' A' ' 41' ' ' MET . 2.3 mt -36.69 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 mtmt -70.21 -53.91 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' ILE . 35.4 m -92.7 20.28 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 4.0 m-80 -142.21 86.2 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.4 Cg_endo -74.96 -79.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 23.0 tp60 -50.21 -22.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -83.68 -41.67 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.639 ' HA ' HD22 ' A' ' 34' ' ' LEU . 2.4 ttt -57.97 -27.26 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.91 -31.02 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB1' HG12 ' B' ' 320' ' ' VAL . . . -71.23 -61.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 14' ' ' LEU . 3.7 t80 -58.31 -53.6 56.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -46.17 -50.43 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.87 -42.3 89.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.52 -26.74 68.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.4 ttp180 -78.18 -49.01 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.639 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.3 t -78.27 -16.13 58.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.33 -11.8 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.507 ' CB ' HD11 ' B' ' 340' ' ' ILE . 0.8 OUTLIER -91.37 -27.71 18.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -101.82 -51.66 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.08 -30.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -58.04 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -88.62 18.29 4.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 mt-30 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.784 ' HA ' HD22 ' B' ' 315' ' ' LEU . 9.8 tt0 -47.73 -36.49 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.55 -31.78 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.63 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -75.26 -32.38 61.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -59.91 -60.84 3.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -62.88 -51.28 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 31.3 mm-40 -39.59 -40.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.08 -44.88 62.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.816 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -65.57 -47.02 77.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -66.02 -38.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 14.5 t -63.39 -46.51 86.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.43 -33.97 73.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.0 mt -69.53 -35.86 75.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -53.95 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.2 44.4 3.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.558 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.1 tppt? -41.89 124.71 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -34.21 58.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -44.94 -27.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.525 HG23 ' HD3' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -50.34 -31.22 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.23 -68.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -49.07 74.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.99 48.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' B' ' 334' ' ' LEU . 12.4 pt-20 -55.95 -21.6 21.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' B' ' 333' ' ' GLU . 6.0 mp -80.95 -36.04 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.533 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.84 -12.79 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -32.66 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.539 ' HB3' HD22 ' B' ' 338' ' ' LEU . . . -42.28 -49.95 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.629 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -110.38 -21.82 12.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 66.66 -56.72 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.866 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -93.22 20.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HA ' HG12 ' B' ' 344' ' ' VAL . 1.2 t0 -54.15 -12.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.698 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -84.93 -21.86 29.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.7 mm? -84.55 -38.36 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.795 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.7 p -78.9 -3.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.58 -45.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' B' ' 353' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.809 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.47 -27.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.586 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER 76.28 62.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 132.68 38.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.86 12.32 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' B' ' 355' ' ' LEU . 3.4 m 40.32 92.84 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.795 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 5.46 3.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.748 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.12 -67.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.556 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 154.89 69.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 4.3 p 86.19 80.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.778 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.738 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -161.56 141.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 3.4 m -69.02 143.48 94.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.903 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 10.93 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 13.8 m -101.49 -10.76 19.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.22 -62.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.911 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.43 -29.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.73 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.33 -40.99 64.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.6 m-20 -74.65 -29.57 61.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.95 -68.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -29.8 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -75.17 -23.79 57.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' HB2' ' A' ' 29' ' ' GLN . 2.3 m -75.97 -53.75 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' B' ' 343' ' ' LEU . 3.1 mm? -49.45 -26.05 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.2 mptm? -56.39 -37.43 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.4 -178.28 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -74.99 -33.06 4.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.536 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.08 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.23 -51.23 69.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.712 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.62 -59.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.568 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -41.86 -50.42 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -72.59 -26.61 61.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.777 ' HB2' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.87 -52.34 30.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.4 -52.56 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -60.11 -36.66 77.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.2 m-20 -58.8 -67.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.746 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.85 -60.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -39.71 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 33' ' ' ILE . 14.3 mttm -84.51 -53.93 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 49.5 m -78.1 1.3 21.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.1 m120 -145.73 101.96 4.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -55.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -52.57 -42.29 64.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.738 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -60.82 -52.74 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.88 -45.88 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.58 -46.09 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.01 -59.8 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.694 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.6 t80 -54.43 -57.33 11.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.787 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.01 -35.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.18 -50.11 67.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.855 ' HB2' HG23 ' B' ' 320' ' ' VAL . 18.8 tp60 -74.87 -13.0 60.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -95.71 -21.2 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.1 t -99.55 -17.66 17.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 -18.47 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CG ' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -82.24 -29.36 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.817 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -99.56 -59.59 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -39.7 -27.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -74.04 -65.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 24.6 p30 -64.75 -21.32 66.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.83 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.8 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 311' ' ' ASP . 11.7 tt0 -36.4 -57.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.894 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.91 -36.97 85.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.894 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.77 -33.39 75.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.609 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.6 mm? -63.93 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.7 pp -59.86 -25.92 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.648 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.5 mm-40 -73.8 -28.56 61.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -74.83 -46.79 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.914 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.92 -47.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.88 ' N ' HD13 ' B' ' 319' ' ' LEU . 4.0 p -62.12 -43.91 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.76 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.68 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.8 mt -63.73 -50.85 67.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -54.19 32.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.61 48.35 2.82 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.427 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.3 tppp? -40.69 121.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -36.95 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.4 tt0 -45.64 -26.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.557 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -52.07 -34.53 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.18 -44.8 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -48.47 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.4 50.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.13 -22.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -37.89 27.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.0 m-20 -79.14 -18.45 53.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.557 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.77 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.19 -58.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.544 HD12 ' CG ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -94.51 -18.12 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.64 -51.03 2.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.755 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.6 pp -111.81 15.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 1.2 t0 -49.09 -27.27 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -68.81 -28.51 66.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -75.92 -26.49 57.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.817 HG13 ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -89.41 -11.32 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.1 tm0? -32.61 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.469 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 344' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.665 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.91 8.66 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.5 t 82.66 -58.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.945 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 131.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 51.56 68.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.368 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 356' ' ' VAL . 16.5 m -37.72 102.93 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.64 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.3 Cg_endo -74.89 -2.67 12.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.993 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.56 -43.57 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 120.12 91.17 1.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.69 65.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.666 ' CD1' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -163.12 147.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 4.1 m -82.77 144.82 49.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.64 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.93 10.47 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 62.2 m -100.97 -10.06 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.69 -63.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.78 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.33 -29.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.586 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.8 tt0 -73.26 -40.52 64.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.9 m-20 -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 44' ' ' PHE . 2.4 tp -65.97 -68.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -30.19 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 1.4 ttt-85 -74.16 -27.22 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -72.1 -47.47 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.8 mm? -57.92 -28.6 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.4 mptp? -53.72 -34.43 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.65 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 p -52.56 -173.21 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -75.01 -35.35 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.646 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 m 87.61 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.76 -62.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.0 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 7.1 mt-30 -60.82 -52.02 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.728 ' O ' HG13 ' A' ' 30' ' ' VAL . 3.7 tm0? -29.44 -61.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.569 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.4 pt20 -41.01 -50.7 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.05 -27.84 61.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.827 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.6 mm-40 -67.86 -52.25 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.29 -52.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.93 -32.75 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -60.03 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.33 -61.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' NH2' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -37.1 -35.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ILE . 6.0 mtmm -62.26 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 m -100.17 18.98 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -122.74 90.27 49.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.555 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 15.8 mt-30 -75.75 -15.88 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD12 HD22 ' A' ' 14' ' ' LEU . 2.7 mm? -86.32 -55.1 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -49.72 -49.44 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.95 -42.73 76.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -58.55 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.965 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.8 t80 -57.17 -56.04 26.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.737 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.43 -34.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -68.73 -47.3 66.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.704 HE21 HG13 ' B' ' 320' ' ' VAL . 8.8 tp-100 -73.57 -17.2 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.617 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -91.13 -31.27 16.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.613 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 14.8 t -88.51 -15.65 34.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -11.11 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.709 ' HG2' HD11 ' B' ' 340' ' ' ILE . 11.0 tppt? -89.5 -23.95 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.0 -45.38 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -22.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.42 16.39 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' TYR . 58.1 m-20 -143.51 -46.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.721 ' HA ' HD22 ' B' ' 315' ' ' LEU . 28.5 tt0 -45.23 -39.52 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -51.78 -29.79 20.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.524 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -76.43 -28.36 56.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -64.83 -59.07 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.833 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.32 -35.38 80.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.4 mm-40 -68.12 -31.93 71.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' B' ' 318' ' ' GLN . 7.2 tp60 -67.89 -47.1 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.87 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -74.47 -34.0 63.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.833 HG23 ' O ' ' B' ' 316' ' ' LEU . 38.5 t -65.88 -54.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.0 t -58.91 -41.3 86.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -34.0 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' B' ' 323' ' ' LEU . 5.3 mt -66.25 -50.25 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -50.65 64.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.49 44.59 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 125.23 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.11 -41.08 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -45.29 -26.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -33.25 21.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.36 -53.15 61.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.41 -50.13 13.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.41 50.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.77 -22.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.16 -42.92 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' B' ' 337' ' ' ALA . 17.7 m-20 -76.22 -15.91 59.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -27.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.51 -60.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' B' ' 341' ' ' ASP . 2.3 mt -96.18 -19.15 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.418 ' C ' HG23 ' B' ' 340' ' ' ILE . . . 78.93 -6.55 55.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.748 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.2 pp -152.86 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.45 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -53.34 -28.08 26.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -21.99 63.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 323' ' ' LEU . 0.1 OUTLIER -80.87 -31.47 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -83.79 -8.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.0 tt0 -34.04 -36.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.578 HG22 ' N ' ' B' ' 352' ' ' LEU . 3.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.657 HD22 ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -91.9 25.44 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.7 -66.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 355' ' ' LEU . 10.1 ttmt -40.23 126.17 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 354' ' ' LYS . 4.2 mm? 58.91 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.84 95.42 33.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.5 Cg_endo -74.95 4.35 4.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.906 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -131.03 -42.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.555 ' H ' HD11 ' B' ' 361' ' ' LEU . . . 119.4 73.75 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.602 ' C ' HD12 ' B' ' 361' ' ' LEU . 1.7 t 87.28 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.906 HD21 ' HB2' ' B' ' 358' ' ' ARG . 1.7 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.69 HG13 HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 173.8 143.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 9' ' ' SER . 12.1 m -69.02 136.44 89.55 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.621 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 12.5 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 7' ' ' SER . 19.7 m -101.73 -10.74 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.44 -63.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.777 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.32 -29.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.584 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.8 mm-40 -73.8 -40.26 63.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 10' ' ' ALA . 19.9 m-20 -73.11 -32.35 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.993 HD23 ' HG ' ' B' ' 319' ' ' LEU . 4.4 tp -66.89 -66.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.84 -34.15 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 2.1 ttm180 -74.44 -27.99 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -69.65 -43.99 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 3.0 mm? -61.19 -28.38 69.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -52.55 -35.72 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.582 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.92 -177.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 t 88.94 83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.01 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -100.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -61.61 -50.46 72.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.5 tm0? -32.19 -58.55 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.6 pt20 -42.43 -50.03 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.3 -25.34 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.842 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.8 mm-40 -67.74 -47.52 69.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -63.46 -51.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -35.92 82.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 10.9 m-20 -57.31 -58.84 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.892 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.68 -60.38 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.517 HD13 HG13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -36.79 -34.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.6 mttt -63.52 -52.81 59.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -97.56 16.17 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -122.65 91.21 49.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 1.1 tp-100 -73.52 -15.16 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD22 HG13 ' A' ' 6' ' ' ILE . 1.6 mm? -82.95 -54.8 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' ILE . 19.1 ttt -50.93 -44.32 60.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -51.35 -42.56 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -59.5 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.5 t80 -57.33 -58.21 9.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.24 -50.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.47 -36.74 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 1.001 ' CD ' HD13 ' B' ' 343' ' ' LEU . 0.6 OUTLIER -78.01 -47.62 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.614 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.6 t -61.58 -24.63 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.454 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.6 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.866 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -91.1 -28.88 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.698 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.09 -42.67 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -57.19 -37.97 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.9 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.7 m-20 -102.0 -42.07 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.966 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.815 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.9 OUTLIER -38.64 -60.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.622 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -60.95 -33.05 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.815 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -67.67 -33.48 75.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.746 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mm? -64.8 -61.35 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -60.44 -31.65 70.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.9 mm-40 -68.95 -31.88 71.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.993 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.53 -35.56 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.858 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -63.26 -55.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.2 t -57.15 -44.56 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.3 -31.76 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.991 HD13 HH21 ' A' ' 48' ' ' ARG . 5.3 mt -68.83 -44.4 73.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -52.61 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.44 58.01 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER -46.84 121.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.02 -37.57 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.49 -22.43 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 28.0 m -50.75 -24.91 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.6 -49.75 69.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -53.41 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -79.99 52.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -50.1 -22.93 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.45 ' C ' HD13 ' B' ' 334' ' ' LEU . 1.7 tm? -81.92 -52.05 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.3 OUTLIER -69.89 -14.61 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.59 ' HA ' HG23 ' B' ' 329' ' ' THR . 75.2 ttt180 -39.87 -27.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.23 -49.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.866 HD13 ' HE3' ' A' ' 51' ' ' LYS . 8.7 mt -103.02 -23.67 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.771 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.17 -1.75 31.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.89 ' CG2' HD21 ' B' ' 343' ' ' LEU . 1.7 pp -161.36 25.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -70.24 -5.92 31.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.47 -51.67 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 1.001 HD13 ' CD ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -60.18 -12.89 9.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 340' ' ' ILE . 6.5 t -101.18 -13.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 20.0 tt0 -29.85 -44.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.519 HG23 ' H ' ' B' ' 353' ' ' SER . 1.1 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.753 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -40.33 -28.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 88.75 -51.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 356' ' ' VAL . 4.8 tttt -49.21 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -69.66 64.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.592 HG12 HD23 ' B' ' 361' ' ' LEU . 6.9 m -33.75 98.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.02 2.99 6.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.862 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -124.5 -57.84 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.622 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 137.45 74.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 84.63 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.95 166.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 6' ' ' ILE . 75.2 m -85.73 156.31 58.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -72.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.626 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.9 p -18.96 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -39.83 -49.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.029 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.6 -46.88 58.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.934 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.2 mt-30 -66.09 -30.77 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -35.37 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -68.15 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.03 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.04 -34.37 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 13.2 ttm-85 -76.0 -28.04 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.748 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -73.28 -34.18 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -67.37 -26.85 66.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -56.89 -32.06 65.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.631 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.63 -174.88 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -35.8 2.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.64 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.9 p 87.17 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.07 -62.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.96 -97.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -60.58 -49.9 75.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 tm0? -31.64 -60.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.0 pt20 -40.97 -49.22 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.2 -28.61 62.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.748 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -70.31 -54.74 11.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.88 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -55.27 -49.08 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.24 -32.05 73.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.6 m-20 -59.97 -56.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.42 -46.1 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.26 -30.73 60.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.86 -34.62 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ASN . 18.9 m -79.91 -4.08 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.848 ' HB2' HD22 ' A' ' 40' ' ' LEU . 1.6 m-80 -158.54 108.15 1.65 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -70.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.2 tp60 -43.21 -26.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.15 -44.33 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.618 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.46 -28.3 63.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 45' ' ' ILE . . . -60.39 -38.83 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.73 61.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HE2' HD21 ' A' ' 18' ' ' LEU . 3.0 t80 -69.05 -56.85 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.83 -46.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -71.15 -35.08 71.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.83 HE21 HG22 ' B' ' 320' ' ' VAL . 2.6 tp-100 -66.17 -44.42 84.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 4.3 ptt180 -72.4 -40.52 67.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' LYS . 2.2 t -72.46 -18.95 61.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.45 -13.29 12.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.88 ' HG2' HD11 ' B' ' 340' ' ' ILE . 4.6 tppt? -91.12 -31.99 16.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.965 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.5 -50.25 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.47 -27.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -44.63 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' TYR . 10.8 p30 -103.82 18.79 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.6 mt-30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.746 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.8 m-20 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -38.95 -57.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.744 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.1 -35.9 78.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.746 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.96 -33.81 76.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.585 HD12 ' CD1' ' A' ' 11' ' ' LEU . 4.2 mm? -64.36 -60.93 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.6 pp -60.68 -31.94 71.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.9 mm-40 -68.23 -30.03 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.99 -47.03 66.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -71.83 -50.05 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 1.018 ' N ' HD13 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -57.93 -39.04 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 12.1 t -62.19 -52.48 63.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.628 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.03 -29.71 67.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' A' ' 18' ' ' LEU . 8.4 mt -66.88 -49.11 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -53.24 38.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.956 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -90.07 50.79 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.774 ' HB2' HG22 ' B' ' 340' ' ' ILE . 0.3 OUTLIER -41.2 119.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -27.02 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -24.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.642 ' HA ' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -62.23 -30.61 71.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.6 -44.32 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -49.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.437 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -78.92 55.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.92 -23.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -80.73 -49.54 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.437 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.9 OUTLIER -61.06 -15.51 33.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -49.56 -20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -36.52 -62.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' B' ' 341' ' ' ASP . 74.7 mt -96.63 -17.59 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 88.06 -28.94 5.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.88 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -132.71 8.58 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.33 -18.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.642 ' HZ1' ' HA ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.51 -9.17 59.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -100.88 -15.07 17.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.926 ' N ' HD23 ' B' ' 343' ' ' LEU . 1.3 p -113.07 -3.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.3 mt-30 -28.87 -46.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.796 HG23 ' CG2' ' B' ' 344' ' ' VAL . 4.2 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.965 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -84.66 14.55 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 354' ' ' LYS . 16.9 t 62.94 -72.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' B' ' 352' ' ' LEU . 6.2 tttt -45.35 172.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 2.7 mp 42.73 58.37 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 356' ' ' VAL . 17.2 m -37.38 98.25 0.15 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.464 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.94 1.05 8.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.761 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.69 -45.11 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 144.49 -41.77 1.07 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.554 ' C ' HD22 ' B' ' 361' ' ' LEU . 96.2 p -160.31 93.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.804 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.704 HG13 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 175.6 147.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 9' ' ' SER . 25.0 m -79.82 137.95 54.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.624 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 12.65 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 7' ' ' SER . 76.9 p -102.56 -10.5 19.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -85.7 -63.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.69 -28.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.563 ' H ' HD22 ' A' ' 11' ' ' LEU . 6.7 mt-30 -74.58 -41.14 61.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.36 -35.57 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -65.46 -68.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.737 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -50.12 -29.92 10.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 10.6 ttm180 -75.84 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -67.64 -44.22 78.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -55.15 -25.01 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 6.4 mmtt -54.89 -37.87 66.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.35 -176.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -34.6 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.588 ' CB ' ' NE2' ' A' ' 26' ' ' GLN . 4.5 p 89.07 82.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.92 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -96.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.53 -54.88 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.71 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tt0 -29.47 -60.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.8 pt20 -40.78 -50.62 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.1 mt-30 -73.73 -26.33 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mm100 -68.89 -50.52 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.78 -52.0 66.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.49 -32.7 74.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -59.63 -59.87 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.1 -59.42 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -37.75 -34.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 4.1 mttt -64.18 -52.09 60.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 33' ' ' ILE . 65.0 m -96.91 16.76 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 1.9 m-80 -127.82 90.74 47.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' HG13 ' A' ' 6' ' ' ILE . 1.2 tt0 -65.86 -18.2 65.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -85.28 -55.46 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -48.95 -48.96 42.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.16 -44.33 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -60.47 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HD2' HD23 ' A' ' 14' ' ' LEU . 5.3 t80 -52.81 -56.42 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.98 -41.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -62.47 -35.95 80.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.656 ' OE1' HG13 ' B' ' 320' ' ' VAL . 35.7 tp60 -76.98 -26.33 53.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.773 HH11 HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -76.18 -41.1 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.64 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.3 t -83.36 -18.7 37.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -59.03 -13.57 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.9 OUTLIER -85.8 -24.4 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.7 -53.63 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.53 -39.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.73 70.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -88.39 -12.85 42.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.5 mm-40 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.778 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.8 t70 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.6 pt-20 -37.56 -59.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.619 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.36 -31.84 71.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.778 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -68.25 -32.44 72.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.634 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.3 mm? -66.97 -62.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.776 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.3 -25.19 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 25.6 mm-40 -73.48 -35.83 65.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.675 ' HG3' ' N ' ' B' ' 319' ' ' LEU . 0.9 OUTLIER -67.26 -36.26 81.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.675 ' N ' ' HG3' ' B' ' 318' ' ' GLN . 0.1 OUTLIER -84.1 -35.27 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 316' ' ' LEU . 11.6 t -64.07 -50.13 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -47.33 77.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -57.87 -32.46 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.773 HD13 HH11 ' A' ' 48' ' ' ARG . 6.0 mt -72.29 -46.51 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -53.93 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.52 51.5 4.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.0 OUTLIER -42.44 125.41 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.57 -32.33 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.05 -31.36 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -51.12 -27.47 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.84 -71.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.674 HD12 ' N ' ' B' ' 332' ' ' ALA . 3.9 pp -67.64 -30.98 70.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.674 ' N ' HD12 ' B' ' 331' ' ' LEU . . . -80.56 50.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.4 -22.8 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.3 OUTLIER -79.22 -51.98 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.5 ' CG ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.43 -15.57 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.1 OUTLIER -36.56 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.79 -63.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.9 -19.08 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.504 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 74.64 -5.1 31.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.74 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.3 pp -156.45 22.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.475 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.6 OUTLIER -57.37 -24.79 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.5 ' NZ ' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -74.11 -18.04 60.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -84.95 -41.91 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.841 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.7 p -80.36 -4.85 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.2 mt-30 -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.983 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.836 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.34 107.62 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER -59.68 -149.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.13 -88.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 353' ' ' SER . 6.9 mt -77.18 56.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -38.23 102.11 0.24 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.841 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.02 -0.13 9.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.782 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -115.43 -42.78 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.09 -45.99 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.634 ' C ' HD22 ' B' ' 361' ' ' LEU . 12.0 t -154.8 93.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.819 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -153.57 151.12 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.537 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.4 m -54.68 146.16 36.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.604 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 -78.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLN . 87.3 p -36.09 -39.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.63 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -41.18 -31.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -66.51 -50.1 64.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.592 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -63.84 -29.89 71.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -35.26 67.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.015 ' CD2' HD21 ' A' ' 40' ' ' LEU . 1.6 tp -67.95 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.96 -37.4 44.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 8.4 ttm-85 -72.85 -32.34 65.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.39 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.971 HD21 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mt -75.88 -28.9 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -54.48 -22.24 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -60.36 -175.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -34.18 4.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 23' ' ' SER . 2.4 m 86.96 89.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 156.31 -60.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.94 -102.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 33.8 mt-30 -62.93 -51.31 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.09 -59.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.12 -50.11 4.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.96 -27.29 61.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.7 ' HB2' HG23 ' A' ' 17' ' ' THR . 4.2 mm-40 -68.65 -52.61 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.24 -53.45 47.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.08 -35.28 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 3.9 m-20 -57.66 -68.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -56.28 -63.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.56 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ILE . 9.3 mtmt -81.23 -51.15 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -80.36 4.64 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.777 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -150.66 90.27 4.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.02 -77.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 39' ' ' GLN . 4.4 tp-100 -43.96 -23.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.015 HD21 ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -46.88 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.55 -24.77 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.67 -45.45 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' B' ' 316' ' ' LEU . . . -63.86 -60.62 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' HD21 ' A' ' 18' ' ' LEU . 1.6 t80 -53.89 -56.28 19.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -47.73 -35.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.797 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 4.5 mmpt? -74.67 -32.5 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -71.73 -47.55 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 5.3 ptt180 -69.0 -42.11 76.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.9 t -75.19 -20.33 59.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.84 -9.66 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.723 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -90.14 -24.68 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 1.046 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -109.04 -52.88 2.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.64 -34.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 16.6 m-20 -54.3 -43.5 71.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.775 ' HA ' HD22 ' B' ' 315' ' ' LEU . 3.0 tt0 -61.46 -53.89 50.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.87 -32.92 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.582 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -74.6 -34.77 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.0 OUTLIER -62.69 -46.46 88.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.823 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -77.33 -50.35 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 4.2 mm-40 -39.11 -48.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.709 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.3 OUTLIER -65.11 -43.8 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.97 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.823 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -55.38 -36.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.5 m -57.93 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.19 -32.67 71.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 18' ' ' LEU . 9.0 mt -64.77 -44.31 90.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -47.68 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.36 46.79 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.517 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.2 tppp? -42.33 122.63 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -35.81 73.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.31 -27.97 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.616 HG23 ' HA ' ' B' ' 336' ' ' ARG . 7.5 m -53.9 -27.94 33.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.56 -56.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -46.52 58.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.58 54.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 11.4 pt-20 -51.74 -20.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.84 -32.33 27.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.34 -15.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.9 OUTLIER -36.15 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -47.22 -62.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.723 HD23 ' CG ' ' A' ' 51' ' ' LYS . 5.6 mp -94.59 -22.81 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.518 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 65.82 6.42 30.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -156.2 22.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.411 ' OD2' ' HA ' ' B' ' 357' ' ' PRO . 2.0 t0 -46.49 -23.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.04 -42.92 68.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 18' ' ' LEU . 2.8 mp -67.02 -12.35 59.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 1.046 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -100.51 -15.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.2 tt0 -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.763 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.904 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER 15.71 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.436 ' H ' HD23 ' B' ' 352' ' ' LEU . 2.4 p 165.53 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 137.28 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.17 72.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.609 HG12 HD23 ' B' ' 361' ' ' LEU . 2.1 m -41.83 103.96 0.33 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.99 4.66 4.54 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.2 ttp85 -122.13 -49.91 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 148.74 -39.09 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.433 ' C ' HD22 ' B' ' 361' ' ' LEU . 55.6 p -162.33 87.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.822 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -145.97 140.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.42 128.57 32.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 1.087 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 3.61 5.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -102.05 -11.29 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.702 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -79.53 -59.19 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.087 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -41.97 -29.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.751 ' H ' HD22 ' A' ' 11' ' ' LEU . 55.3 mt-30 -70.18 -40.85 74.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.2 m-20 -71.88 -28.55 63.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' A' ' 44' ' ' PHE . 9.2 tp -65.6 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' CD ' ' B' ' 318' ' ' GLN . 0.0 OUTLIER -50.79 -33.28 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 39.9 ttt180 -75.74 -27.74 58.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.813 HG22 ' NE2' ' A' ' 26' ' ' GLN . 1.1 m -68.42 -44.81 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.795 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -56.9 -28.96 62.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' B' ' 322' ' ' PHE . 29.0 mmtt -53.2 -29.64 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.68 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -53.54 -172.34 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.96 71.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 175.2 -63.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -98.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.6 mt-30 -54.6 -51.8 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.813 ' NE2' HG22 ' A' ' 17' ' ' THR . 8.0 tp60 -26.6 -62.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -43.79 -49.35 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.14 -31.28 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.771 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.8 mm100 -66.36 -53.61 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -58.01 -54.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.58 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.28 -32.99 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -59.83 -68.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.14 -53.22 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.5 mt -47.05 -29.27 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.8 mttm -81.05 -49.54 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 0.52 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 1.052 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -155.86 109.02 2.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.38 -41.5 13.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.052 HD12 ' CB ' ' A' ' 37' ' ' ASN . 18.5 mt -59.63 -54.66 43.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -47.93 -43.78 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.81 -43.63 81.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.25 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 14' ' ' LEU . 19.5 t80 -57.22 -55.78 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.775 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.62 -40.03 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -62.33 -48.12 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.909 ' HG2' HG23 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -74.16 -18.23 60.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.585 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -86.57 -31.29 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.619 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 10.5 t -89.61 -16.54 30.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.66 -13.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HG3' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -88.95 -34.36 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.977 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -97.56 -50.46 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.93 -41.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.29 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.49 -49.97 75.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.964 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 9.0 t70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -43.81 -55.74 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.531 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.15 -28.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -77.57 -35.49 53.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -60.94 -59.32 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 1.045 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.12 -47.69 84.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 32.7 mm-40 -45.91 -40.25 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.726 ' CD ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.26 -43.98 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.707 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.47 -59.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 1.045 HG12 ' O ' ' B' ' 316' ' ' LEU . 1.3 p -53.42 -39.34 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.7 t -59.49 -41.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.4 -32.68 62.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.1 mt -59.48 -45.24 92.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.9 -51.95 53.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.32 50.97 3.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.476 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.93 122.24 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -36.69 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -47.88 -29.67 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.409 HG21 ' NH1' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -51.46 -25.61 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -56.64 -68.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -49.87 74.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.677 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.79 51.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -48.49 -23.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -48.77 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.677 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 70.8 m-20 -61.1 -15.36 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' B' ' 336' ' ' ARG . 1.0 OUTLIER -39.56 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.9 -62.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' B' ' 341' ' ' ASP . 53.0 mt -88.93 -29.99 19.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.11 -12.47 24.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.786 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.2 pp -148.17 16.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.75 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.71 -25.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.428 ' HE2' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -66.66 -33.47 75.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.495 ' N ' HD22 ' B' ' 343' ' ' LEU . 2.6 mm? -80.11 -21.04 43.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.977 HG13 ' CE1' ' A' ' 52' ' ' TYR . 3.2 t -86.38 -10.35 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.412 ' HA ' ' C ' ' B' ' 357' ' ' PRO . 7.5 pt20 -38.48 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.805 HG23 ' H ' ' B' ' 353' ' ' SER . 3.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.757 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.23 -13.47 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.805 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.4 t 88.29 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 102.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.6 mp 67.21 89.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.9 m -37.88 102.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.459 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.05 3.14 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.715 ' CB ' HD11 ' B' ' 361' ' ' LEU . 1.5 ttp85 -122.11 -44.51 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.43 -43.19 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.582 ' C ' HD22 ' B' ' 361' ' ' LEU . 11.4 t -155.53 91.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.822 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.5 161.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.591 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.8 m -74.23 142.68 79.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -60.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 57.7 p -38.25 -37.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -43.1 -32.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.623 HD12 ' OE1' ' B' ' 318' ' ' GLN . 0.2 OUTLIER -63.35 -46.8 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -62.71 -31.64 72.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.94 -38.78 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' B' ' 319' ' ' LEU . 1.3 tp -60.92 -67.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.07 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.34 -38.07 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 4.3 ttm180 -61.22 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.762 HG22 ' OE1' ' A' ' 26' ' ' GLN . 1.3 m -69.34 -51.07 40.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.849 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 7.0 mmtt -52.93 -31.88 42.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.667 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.58 -173.08 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.589 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 88.1 79.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 167.07 -62.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -96.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -58.01 -53.0 63.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.762 ' OE1' HG22 ' A' ' 17' ' ' THR . 1.5 tp-100 -27.85 -62.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -41.45 -49.89 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.37 -27.72 60.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.721 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.4 mm100 -70.98 -53.69 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -57.04 -50.66 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.75 -31.1 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 3.1 m-20 -59.23 -53.48 57.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -76.52 -42.71 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -57.4 -30.49 64.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.3 ptpt -90.6 -31.0 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.468 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 18.4 m -88.76 1.7 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.858 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.5 m-80 -160.37 114.28 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.07 -40.04 14.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.7 mm? -60.95 -51.09 70.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.567 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.5 ttt -50.56 -46.37 57.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.75 -40.12 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -62.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.7 t80 -57.39 -56.19 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.578 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.36 -49.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.01 -41.39 92.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 3.6 mm-40 -61.66 -45.05 95.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 6.8 mtp180 -63.79 -49.66 72.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -66.7 -25.14 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -7.9 10.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' HD11 ' B' ' 340' ' ' ILE . 2.3 tppt? -93.98 -23.29 18.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.4 -45.11 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.39 -24.45 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.48 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.15 49.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.957 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.618 ' HA ' HD23 ' B' ' 315' ' ' LEU . 12.0 tt0 -58.64 -37.61 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -53.01 -31.34 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.575 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -72.57 -35.15 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' B' ' 312' ' ' GLU . 3.8 mm? -59.96 -59.56 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.965 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.23 -38.33 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.671 ' HA ' HG22 ' B' ' 320' ' ' VAL . 3.9 mm-40 -53.15 -38.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.623 ' OE1' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -64.82 -45.58 85.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.36 -56.18 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.965 HG13 ' O ' ' B' ' 316' ' ' LEU . 2.3 m -53.5 -38.53 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 13.5 t -60.88 -53.76 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.854 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.35 -30.29 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.849 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.5 mt -66.38 -44.02 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -48.54 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -96.98 50.43 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.411 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.5 tppp? -40.62 125.43 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.54 -25.94 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.36 -32.25 64.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -51.02 -33.06 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.62 -75.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.51 -52.8 43.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.22 51.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . 0.451 ' HG3' HD22 ' B' ' 334' ' ' LEU . 11.8 pt-20 -50.77 -22.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -78.76 -31.4 46.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.593 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 1.1 p-10 -73.38 -16.21 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.462 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.2 OUTLIER -36.6 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.17 -63.28 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.538 HD23 ' CG ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -107.04 -13.05 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.424 ' O ' ' OD2' ' B' ' 335' ' ' ASP . . . 71.78 -53.97 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.736 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -109.24 21.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -52.93 -15.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -84.64 -30.14 25.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.541 HD23 ' HB ' ' B' ' 340' ' ' ILE . 3.4 mm? -75.17 -29.9 60.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.5 p -92.27 -4.71 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' B' ' 344' ' ' VAL . 61.4 tt0 -36.14 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.567 HG21 ' HD2' ' B' ' 357' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.871 HD13 ' H ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.66 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 4.0 t 159.39 -61.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.5 152.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 338' ' ' LEU . 0.8 OUTLIER 49.88 56.98 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.691 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -39.07 98.98 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.775 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.685 ' CB ' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -122.72 -40.4 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.81 93.7 1.45 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 85.52 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.038 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.691 HD23 HG12 ' B' ' 356' ' ' VAL . 2.2 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -158.68 148.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 9' ' ' SER . 54.7 m -64.97 133.05 95.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.676 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 13.16 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 7' ' ' SER . 44.7 p -101.65 -12.21 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.48 -63.34 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.901 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.67 -33.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.594 ' H ' HD22 ' A' ' 11' ' ' LEU . 34.6 mt-30 -71.29 -41.81 69.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.5 m-20 -70.06 -30.03 67.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 40' ' ' LEU . 2.5 tt -64.55 -67.38 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -31.68 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttm-85 -77.68 -20.77 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -76.46 -51.52 11.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HG ' HD21 ' B' ' 323' ' ' LEU . 0.3 OUTLIER -46.92 -24.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 10.1 mptt -59.27 -34.24 72.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.1 -176.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.03 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.606 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.8 p 89.35 84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.74 -61.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -75.03 -99.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' GLN . 45.8 mt-30 -60.71 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.606 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.32 -59.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.4 pt20 -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -71.16 -22.97 61.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.0 mt-30 -73.34 -53.81 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.836 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -56.47 -48.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.14 -30.78 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.9 m-20 -61.41 -56.26 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -71.28 -40.39 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.836 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.83 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 8.3 ptpt -92.53 -47.51 7.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.506 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.6 m -75.4 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.9 m120 -143.87 101.86 4.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.94 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 49.1 tp60 -44.23 -26.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -78.02 -49.2 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -52.8 -24.99 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -58.69 -39.56 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.12 -59.38 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.707 ' CD2' HD21 ' A' ' 14' ' ' LEU . 3.5 t80 -53.23 -55.42 24.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.01 -43.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -61.33 -39.16 89.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 55.3 mm-40 -69.18 -44.23 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.723 ' NH1' HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -60.59 -51.24 70.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.709 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.7 t -70.69 -22.22 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.52 -11.47 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -95.06 -31.08 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.931 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.47 -49.9 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -42.59 -27.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -71.83 -55.7 7.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 5.0 p30 -83.34 3.77 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.8 mt-30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 1.6 tt0 -33.39 -61.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.896 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -55.88 -45.17 78.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.896 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -58.73 -42.12 88.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.563 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -52.27 -43.81 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -73.54 -51.5 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' B' ' 321' ' ' SER . 3.3 mt-10 -38.96 -38.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -75.43 -48.14 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.859 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.28 -57.62 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' B' ' 316' ' ' LEU . 3.1 m -48.87 -50.54 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 38.9 t -57.66 -50.51 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.68 -31.15 71.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.713 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.5 mt -69.71 -41.52 75.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -54.09 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.68 56.5 4.14 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.673 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 0.7 OUTLIER -45.12 135.71 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 5.2 m-20 -82.17 -43.64 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -46.04 -29.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.556 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.7 -32.62 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.357 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.04 -52.4 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -80.68 48.61 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.97 -22.41 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.439 ' H ' HD12 ' B' ' 334' ' ' LEU . 4.5 mp -75.66 -52.28 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 30.6 m-20 -75.58 -12.92 60.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.556 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.64 -30.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.53 -42.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.724 HD23 ' HE3' ' A' ' 51' ' ' LYS . 2.9 mt -109.2 -19.86 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.07 -55.15 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.759 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.5 pp -104.63 15.13 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.572 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -61.03 -9.37 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 2.4 mppt? -88.17 -19.66 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.673 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mp -88.64 -37.62 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.79 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.3 p -78.94 -3.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' B' ' 358' ' ' ARG . 0.3 OUTLIER -35.27 -42.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.452 HG11 ' O ' ' B' ' 344' ' ' VAL . 32.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -97.93 103.04 14.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 352' ' ' LEU . 3.3 m -36.02 -46.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -38.89 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.8 mt 40.57 64.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.7 m -37.03 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.79 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.98 5.33 4.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.75 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 147.87 67.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 88.39 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.647 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.6 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' ILE . 63.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 80.87 159.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.51 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.26 142.34 86.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.4 Cg_endo -74.97 -62.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' GLN . 56.3 m -38.83 -38.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -31.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -63.85 -48.08 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.15 -39.95 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.93 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.58 -33.64 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 1.9 ttt85 -75.21 -27.74 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.1 m -69.83 -30.54 68.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.708 HD21 ' HE2' ' A' ' 44' ' ' PHE . 2.3 mm? -71.82 -30.16 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -52.91 -32.96 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.6 -177.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.94 -35.43 3.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 m 88.79 83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.74 -61.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 72.0 mt-30 -60.77 -49.63 76.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -32.72 -59.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.539 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.41 -27.23 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.819 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.7 mt-30 -69.61 -53.3 19.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.922 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.18 -52.19 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.99 -32.75 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.8 m-20 -59.95 -68.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.56 -48.79 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 -28.92 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -86.46 -50.38 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -3.66 20.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.7 m-80 -152.85 105.89 2.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -69.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.1 tp60 -46.16 -25.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.66 ' C ' HD13 ' A' ' 40' ' ' LEU . 2.1 tm? -73.63 -49.91 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -54.08 -31.96 53.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.47 -44.5 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.06 -54.88 17.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.708 ' HE2' HD21 ' A' ' 18' ' ' LEU . 2.2 t80 -59.1 -55.99 27.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.742 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.74 -37.94 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -64.42 -49.53 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -74.94 -12.04 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.57 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -93.03 -28.96 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.618 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -98.98 -11.08 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -12.32 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.8 tppm? -86.04 -25.77 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.843 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.6 -49.8 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.91 -34.83 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.23 -52.76 37.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.8 m-20 -61.81 -48.25 81.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.975 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.54 ' HA ' HD22 ' B' ' 315' ' ' LEU . 41.5 tt0 -43.17 -41.9 3.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.554 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -47.95 -41.22 24.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.554 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -63.59 -38.71 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.724 ' CB ' HD13 ' A' ' 11' ' ' LEU . 2.1 mp -56.84 -41.91 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.892 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -76.88 -39.88 49.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.514 ' HA ' HG22 ' B' ' 320' ' ' VAL . 2.9 mt-10 -54.9 -31.64 60.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' B' ' 314' ' ' ALA . 0.4 OUTLIER -75.3 -52.51 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.849 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.0 -55.21 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.892 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -51.19 -39.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 3.1 m -63.93 -51.07 66.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.88 -30.55 71.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.0 mt -69.18 -48.91 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -50.11 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.92 47.98 2.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.559 ' HZ1' HD12 ' A' ' 18' ' ' LEU . 2.0 tppp? -42.27 114.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 0.1 OUTLIER -75.05 -31.95 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.5 tp10 -47.28 -23.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.498 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -59.23 -23.91 62.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.6 OUTLIER -67.3 -33.07 74.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.539 ' C ' HD23 ' B' ' 331' ' ' LEU . 3.4 tt -86.43 -54.39 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.515 ' N ' HD23 ' B' ' 331' ' ' LEU . . . -79.38 55.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -45.67 -24.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 334' ' ' LEU . 4.0 tp -81.09 -52.63 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.484 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 79.3 m-20 -60.15 -15.54 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.498 ' HG3' HG23 ' B' ' 329' ' ' THR . 8.8 ttm180 -42.29 -27.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.32 -61.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 1.014 HD12 ' OD1' ' B' ' 341' ' ' ASP . 72.3 mt -101.86 -15.64 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.18 -53.63 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.886 ' HB ' HD22 ' B' ' 343' ' ' LEU . 1.8 pp -98.11 19.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 1.014 ' OD1' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.1 -18.23 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.3 OUTLIER -82.07 -22.05 36.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -83.23 -43.56 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.745 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -73.4 -4.51 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.457 ' CG ' ' HG2' ' B' ' 358' ' ' ARG . 2.5 tt0 -36.08 -45.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.984 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.615 HG22 ' H ' ' B' ' 353' ' ' SER . 3.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.42 22.41 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.615 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.2 OUTLIER 62.64 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.42 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.3 mt 55.55 58.22 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.6 m -38.48 98.72 0.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.745 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -123.56 -43.42 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 112.8 81.92 1.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.0 OUTLIER 84.7 76.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 -179.962 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.27 153.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 9' ' ' SER . 7.4 m -67.63 131.35 92.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.669 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 12.44 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 7' ' ' SER . 3.3 m -101.52 -10.25 20.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -83.7 -62.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.893 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.48 -33.96 1.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.6 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mt-30 -68.87 -40.32 79.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' ALA . 38.9 m-20 -71.4 -29.25 64.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.888 HD23 ' HG ' ' B' ' 319' ' ' LEU . 12.1 tp -63.83 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.055 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.79 -31.31 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 20.2 ttm180 -75.77 -21.3 57.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -76.66 -50.7 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.74 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.97 -29.05 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.0 mptm? -52.78 -35.21 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.675 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.23 -172.48 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.675 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.61 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.2 t 85.65 74.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.623 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 172.07 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -95.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLN . 28.8 mt-30 -58.67 -52.96 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -28.35 -62.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.552 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -40.74 -49.43 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -74.61 -31.27 61.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.723 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.6 mt-30 -65.7 -52.55 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -58.94 -54.64 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.14 -34.25 74.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -60.17 -68.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.67 -50.74 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.7 mt -50.76 -29.79 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 15.6 mttt -91.71 -29.55 16.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' ASN . 1.3 t -79.95 -9.79 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.589 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 15.1 m-80 -159.44 109.16 1.5 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.03 -66.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -47.17 -23.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -79.16 -50.32 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.71 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -49.72 -24.96 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.572 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -54.1 -35.06 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -68.71 -60.62 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.689 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.5 t80 -60.9 -54.86 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -42.89 -48.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -61.44 -40.76 95.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.831 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.536 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 3.6 mtm180 -67.74 -50.17 58.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.632 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.02 -27.83 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.73 -8.43 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.677 ' CE ' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -93.79 -35.41 12.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -94.98 -42.24 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.48 -32.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.6 65.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.0 -34.84 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.7 pp0? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.699 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.6 OUTLIER -40.7 -59.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' B' ' 316' ' ' LEU . 0.0 OUTLIER -42.31 -42.25 3.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -56.92 -41.73 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.32 -35.39 78.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.841 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -80.01 -27.93 39.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 7.5 mt-10 -63.22 -42.31 99.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -73.97 -47.48 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.949 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -64.06 -49.91 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 316' ' ' LEU . 84.7 t -58.03 -54.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 22.8 t -53.5 -43.36 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.674 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.74 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.6 mt -71.78 -46.53 58.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -52.77 58.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.49 44.3 3.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.674 ' NZ ' ' CZ ' ' B' ' 322' ' ' PHE . 7.5 tppt? -42.28 127.01 3.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.9 -38.85 22.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -24.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -54.24 -27.74 36.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.61 -29.7 59.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 331' ' ' LEU . 0.2 OUTLIER -90.35 -54.14 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.18 52.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.75 -23.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -52.15 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.761 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.4 m-20 -68.78 -15.7 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.419 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 60.1 ttt180 -38.73 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.98 -62.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.677 HD22 ' CE ' ' A' ' 51' ' ' LYS . 7.7 mt -82.66 -28.81 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 70.94 1.35 39.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.95 ' HB ' HD12 ' B' ' 343' ' ' LEU . 2.6 pp -154.96 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' B' ' 338' ' ' LEU . 12.5 t70 -60.56 -13.9 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -24.66 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.95 HD12 ' HB ' ' B' ' 340' ' ' ILE . 15.0 mt -82.87 -24.71 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' B' ' 340' ' ' ILE . 1.8 m -99.54 -4.24 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -31.82 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.559 ' C ' HD13 ' B' ' 352' ' ' LEU . 4.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.816 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -136.11 22.52 3.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.425 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 37.33 51.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.87 140.84 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER 40.15 76.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.583 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -37.17 97.89 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.542 ' CB ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.98 -25.59 11.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.759 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -87.67 -30.92 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 131.89 -62.99 0.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.652 ' C ' HD22 ' B' ' 361' ' ' LEU . 35.7 t -139.55 91.44 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.8 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.512 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -159.7 151.1 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' SER . 34.8 m -66.05 130.0 94.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 14.35 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' SER . 71.0 p -101.98 -11.63 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.66 -62.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.911 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.44 -33.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.589 ' H ' HD22 ' A' ' 11' ' ' LEU . 44.7 mt-30 -72.26 -40.75 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.3 m-20 -72.1 -29.1 63.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -65.95 -64.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.2 ttm180 -66.24 -28.97 69.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.641 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -71.96 -44.78 63.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.994 HD22 HD21 ' B' ' 323' ' ' LEU . 5.9 mt -56.72 -30.01 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 4.5 mmpt? -52.6 -28.01 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.706 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.3 p -54.72 -170.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.706 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.99 -34.2 4.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.668 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 83.1 86.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.633 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.94 -62.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.04 -96.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.5 mt-30 -61.24 -51.04 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.668 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 8.3 tm0? -30.12 -61.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.575 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.9 pt20 -40.83 -50.46 3.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.565 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.93 -27.93 61.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.641 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mm-40 -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -63.79 -53.82 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -59.09 -40.01 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.4 m-20 -53.81 -68.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.07 -55.53 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.7 OUTLIER -42.7 -29.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.3 mttm -85.88 -41.6 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -75.09 -2.88 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB2' HD22 ' A' ' 40' ' ' LEU . 8.8 m-80 -160.91 108.05 1.28 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.5 Cg_endo -74.92 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.512 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -48.03 -29.47 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.65 -35.56 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.659 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.17 -33.67 76.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -57.07 -38.6 73.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.907 ' CD2' HD21 ' A' ' 14' ' ' LEU . 7.8 t80 -54.34 -55.01 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.19 -42.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.2 mmpt? -62.24 -35.23 78.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.691 ' HG2' HG23 ' B' ' 320' ' ' VAL . 1.1 mm100 -71.59 -41.12 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 1.085 ' NH1' HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -67.47 -50.41 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.666 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.99 -26.94 67.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.15 -9.49 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.789 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.8 tppt? -92.65 -23.83 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.801 ' CZ ' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -108.11 -44.18 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -54.2 -24.77 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.73 9.84 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.5 m-20 -136.53 -46.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.873 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.581 ' O ' HD23 ' B' ' 316' ' ' LEU . 4.5 tt0 -37.36 -60.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' B' ' 317' ' ' GLU . 0.5 OUTLIER -64.14 -28.82 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.873 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -75.29 -32.43 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.04 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.984 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -60.75 -49.51 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -44.99 -41.65 7.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 16.3 tp60 -67.27 -42.31 84.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.24 -57.95 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.984 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.4 OUTLIER -56.84 -40.69 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 22.3 t -64.39 -41.11 96.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CE1' ' NZ ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -72.22 -30.18 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 1.085 HD13 ' NH1' ' A' ' 48' ' ' ARG . 7.3 mt -67.44 -44.55 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.84 49.72 3.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.531 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.4 OUTLIER -45.65 121.42 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -80.86 -31.4 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.08 -24.4 6.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.504 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.2 m -54.97 -26.47 36.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.41 -44.42 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.61 53.5 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -48.09 -23.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.53 -51.76 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.501 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 73.2 m-20 -66.6 -14.83 62.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.504 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -43.58 -25.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -38.4 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 355' ' ' LEU . 1.7 mt -96.49 -19.99 18.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.3 -36.63 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.789 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.8 pp -124.36 21.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' B' ' 357' ' ' PRO . 0.7 OUTLIER -52.26 -24.19 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -72.49 -25.5 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.9 mm? -84.7 -26.98 27.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 2.3 t -82.01 -13.4 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 344' ' ' VAL . 22.6 tt0 -31.77 -44.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.961 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.886 HG23 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.545 ' N ' HD23 ' B' ' 352' ' ' LEU . 0.2 OUTLIER 37.65 -103.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.33 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -43.19 153.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.455 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.3 OUTLIER 39.22 54.56 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.465 HG21 ' H ' ' B' ' 360' ' ' SER . 13.1 m -38.34 109.87 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.653 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.4 Cg_endo -75.0 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.984 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.18 -45.61 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 123.08 89.19 0.9 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.465 ' H ' HG21 ' B' ' 356' ' ' VAL . 1.8 t 79.01 67.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.984 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.2 mp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -151.42 154.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.613 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -53.45 141.94 41.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -73.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLN . 90.5 p -33.55 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -39.04 -41.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.034 HD13 HD13 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -53.11 -48.52 67.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.516 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 3.4 pt20 -57.87 -38.05 75.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.6 -34.97 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' CD1' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -66.71 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.046 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.39 -31.6 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.6 ttm180 -76.03 -29.96 58.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -66.95 -38.46 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -68.26 -31.02 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.2 mttt -52.57 -35.72 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.95 -179.18 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.049 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.29 3.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.7 p 88.5 83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.598 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.78 -61.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.0 -105.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.4 mm100 -60.12 -46.62 89.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.789 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.0 tm0? -34.61 -59.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -44.11 -44.67 7.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.556 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.37 -28.0 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.871 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.8 mt-30 -70.88 -44.09 67.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -62.56 -54.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.07 -34.94 75.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -58.64 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.707 ' CD1' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.39 -56.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.46 -29.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 6.2 mtmt -88.86 -41.21 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m -75.92 -0.34 21.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' HD13 ' A' ' 40' ' ' LEU . 67.0 m-80 -163.56 114.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.0 Cg_endo -75.04 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' CB ' HG13 ' A' ' 6' ' ' ILE . 3.3 tp60 -51.18 -43.05 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -59.8 -53.55 56.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.55 -41.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -58.26 -39.3 78.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.08 -56.28 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.3 t80 -61.22 -55.77 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -44.53 -49.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -68.23 -28.84 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.2 mm-40 -72.26 -38.04 68.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.892 ' NH2' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -80.73 -35.1 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -81.87 -15.69 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.72 -8.76 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.6 tppm? -90.96 -24.81 20.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.96 -49.26 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -44.94 -27.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.01 31.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -72.21 -44.51 62.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.709 ' C ' HD23 ' B' ' 315' ' ' LEU . 5.1 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 312' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' B' ' 311' ' ' ASP . 13.1 tt0 -30.83 -48.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . 0.969 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -63.02 -54.55 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . 0.969 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -56.75 -33.52 66.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 315' ' ' LEU . . . . . 1.034 HD13 HD13 ' A' ' 11' ' ' LEU . 4.2 mm? -55.2 -57.13 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . 0.785 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.01 -54.22 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' B' ' 320' ' ' VAL . 61.6 mm-40 -38.81 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.84 -48.09 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 319' ' ' LEU . . . . . 0.752 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -72.5 -48.97 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 320' ' ' VAL . . . . . 0.785 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.3 m -58.36 -36.91 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 321' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 9.2 t -63.43 -53.77 47.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 322' ' ' PHE . . . . . 0.662 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 323' ' ' LEU . . . . . 0.892 HD22 ' NH2' ' A' ' 48' ' ' ARG . 6.1 mt -69.57 -42.68 74.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.6 m -53.25 -47.63 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -101.21 55.43 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.69 ' HZ1' ' NH2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -43.64 125.3 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.15 -35.84 48.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 328' ' ' GLU . . . . . 0.499 ' HB2' ' HZ2' ' B' ' 342' ' ' LYS . 45.3 mm-40 -45.88 -27.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -32.38 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -31.98 71.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.42 -52.77 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 332' ' ' ALA . . . . . 0.548 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.45 50.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -48.12 -23.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.42 -47.44 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 335' ' ' ASP . . . . . 0.465 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -72.03 -15.29 62.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 336' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -37.17 -31.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 337' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -44.77 -55.36 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.33 -17.5 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.31 -46.85 3.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 340' ' ' ILE . . . . . 0.91 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.0 pp -108.43 21.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.806 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.492 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -59.52 -13.95 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 342' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -87.51 -5.94 58.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 343' ' ' LEU . . . . . 0.91 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.8 mm? -101.12 -47.19 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 344' ' ' VAL . . . . . 0.863 ' O ' HG21 ' B' ' 351' ' ' VAL . 1.6 p -61.22 -12.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.1 pt20 -29.29 -43.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 346' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 351' ' ' VAL . . . . . 0.863 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 352' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -90.91 9.7 29.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 353' ' ' SER . . . . . 0.557 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 33.9 t -81.03 148.27 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -113.71 -17.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER -90.75 22.16 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 356' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.7 m 39.17 90.45 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 357' ' ' PRO . . . . . 0.861 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.742 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -121.98 -68.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 359' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.56 60.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 360' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 93.3 77.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -102.79 -52.54 3.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.34 138.72 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -58.77 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.511 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -162.77 144.34 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 128.51 45.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 1.94 7.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m -103.03 -23.18 13.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -72.58 -54.7 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.89 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.19 -38.59 8.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.89 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.4 mm-40 -64.45 -32.98 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.3 m-20 -74.06 -32.54 63.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.01 HD23 ' HG ' ' B' ' 319' ' ' LEU . 10.9 tp -63.56 -62.16 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -32.34 69.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 19.6 ttm-85 -76.04 -20.67 57.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.753 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.8 m -75.37 -51.16 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.807 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.5 mm? -48.38 -30.76 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.29 -35.01 49.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.7 -174.19 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.647 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.01 -35.06 3.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.635 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.12 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.641 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.79 -62.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.08 -96.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.799 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -60.61 -52.07 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.4 tm0? -29.9 -61.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.526 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -41.26 -48.84 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.7 OUTLIER -73.9 -30.28 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.753 ' CB ' HG23 ' A' ' 17' ' ' THR . 20.0 mm-40 -67.12 -52.31 43.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -59.76 -54.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.53 -35.78 76.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 8.3 m-20 -57.45 -68.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -57.67 -55.42 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.4 mt -44.18 -29.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.5 mttm -83.26 -47.6 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.01 0.63 17.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 1.079 ' CB ' HD12 ' A' ' 40' ' ' LEU . 19.0 m-80 -158.0 107.95 1.75 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -45.17 -36.84 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.079 HD12 ' CB ' ' A' ' 37' ' ' ASN . 44.1 mt -67.69 -54.14 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.643 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -48.46 -49.21 36.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.01 -41.31 62.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.62 -61.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -54.5 -54.37 41.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.41 -42.87 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -60.87 -40.82 94.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -65.84 -45.71 81.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.589 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.2 ttt180 -61.14 -47.31 86.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -72.44 -20.46 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -62.67 -9.07 7.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.777 ' HG2' HD11 ' B' ' 340' ' ' ILE . 5.6 tptt -93.54 -24.95 17.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.85 -49.49 3.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.3 OUTLIER -39.79 -32.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.77 -56.55 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 37.7 m-20 -61.23 -45.99 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -110.93 97.45 34.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.24 21.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.6 -65.4 0.22 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 5.1 t -70.86 164.8 24.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 10.1 t -140.9 36.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.24 32.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -0.19 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -117.36 12.6 13.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.49 ' CD ' ' N ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -137.43 -64.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.5 t-20 61.2 134.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.748 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.4 OUTLIER 156.31 167.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' B' ' 313' ' ' LYS . 6.8 tt0 -39.27 -59.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.803 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.87 -35.29 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.803 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.82 -33.57 75.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.532 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.4 mm? -64.33 -60.98 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.4 pp -61.69 -28.29 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.622 ' HA ' HG12 ' B' ' 320' ' ' VAL . 34.1 mm-40 -71.51 -28.17 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -73.45 -48.29 34.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 1.046 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -67.95 -49.07 63.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 1.046 ' N ' HD13 ' B' ' 319' ' ' LEU . 2.8 p -58.31 -41.71 81.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 7.4 t -59.15 -47.62 84.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -30.44 71.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.807 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.4 mt -64.15 -49.51 71.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -43.93 64.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.43 50.57 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.448 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.49 115.65 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.436 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 1.7 m-20 -84.19 -25.21 29.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.93 -20.14 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.611 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.3 OUTLIER -51.09 -31.45 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.9 OUTLIER -62.72 -39.22 93.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -47.81 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.43 51.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.17 -21.88 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 21.7 mt -80.36 -52.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.535 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 15.1 m-20 -68.09 -16.29 63.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.611 ' CG ' HG23 ' B' ' 329' ' ' THR . 1.0 OUTLIER -43.24 -27.29 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -40.49 -62.46 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.94 HD23 ' OD1' ' B' ' 341' ' ' ASP . 4.0 mm? -95.0 -19.31 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.59 -34.79 3.27 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.777 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.9 pp -127.85 15.14 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.94 ' OD1' HD23 ' B' ' 338' ' ' LEU . 0.2 OUTLIER -54.91 -19.69 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.579 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -75.89 -14.9 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' B' ' 340' ' ' ILE . 4.0 mp -88.96 -47.69 7.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.696 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.3 p -67.75 -9.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.522 ' C ' ' O ' ' B' ' 344' ' ' VAL . 44.3 tt0 -28.96 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 147.17 -81.83 0.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.041 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.82 -42.62 3.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -99.52 -88.74 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.48 32.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.461 ' C ' HG22 ' B' ' 351' ' ' VAL . 0.5 OUTLIER 162.87 170.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.696 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -156.01 -79.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.886 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -144.38 -92.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 0.7 OUTLIER 154.94 48.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.454 ' HB2' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -133.1 109.3 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.734 HD13 HD21 ' B' ' 338' ' ' LEU . 0.4 OUTLIER 55.1 93.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' B' ' 355' ' ' LEU . 4.6 m -34.55 95.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.695 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.67 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.46 -41.46 0.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.02 -53.17 0.55 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.564 ' C ' HD22 ' B' ' 361' ' ' LEU . 9.9 t -147.06 86.59 1.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 0.767 . . . . 0.0 109.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.803 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -159.36 -54.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 6' ' ' ILE . 3.7 mmt180 -124.9 91.72 3.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OE1' ' A' ' 39' ' ' GLN . 37.1 m 67.45 -71.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.858 HG21 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 176.41 144.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.05 135.9 87.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.07 4.18 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 p -101.55 -23.4 14.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -72.34 -56.42 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -46.23 -40.62 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.93 ' H ' HD13 ' A' ' 11' ' ' LEU . 3.6 mt-30 -63.98 -34.92 79.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ALA . 28.8 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD11 ' CD2' ' A' ' 44' ' ' PHE . 3.2 tp -66.09 -69.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -51.06 -39.15 55.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.786 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -62.51 -31.22 71.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.006 HD22 HD21 ' B' ' 323' ' ' LEU . 5.3 mt -72.53 -29.25 63.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' B' ' 322' ' ' PHE . 31.8 mmtt -53.08 -25.7 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.648 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.39 -173.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.977 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.98 -36.59 2.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.631 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.8 m 87.68 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.606 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 157.33 -61.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.606 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -98.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -61.92 -49.69 75.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.5 tm0? -30.75 -60.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.576 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -41.65 -51.07 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.576 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.85 -25.92 61.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.786 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.3 mm100 -67.96 -52.42 36.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.767 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.38 -51.63 69.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.14 -40.18 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -53.85 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.34 -53.21 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -43.29 -28.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 33' ' ' ILE . 15.3 mttm -87.4 -35.98 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' ILE . 73.0 m -85.67 1.85 47.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -163.41 105.01 0.97 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.67 -32.29 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD21 HG21 ' A' ' 6' ' ' ILE . 4.2 mm? -77.43 -49.7 14.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.93 -52.29 25.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.68 -41.85 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.9 -60.59 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 14' ' ' LEU . 2.8 t80 -57.42 -55.49 34.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.683 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.05 -34.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.721 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -74.57 -34.97 63.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.702 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.58 -45.28 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -70.44 -38.77 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.721 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -76.27 -20.76 57.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.4 -9.86 9.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.75 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.1 tppm? -89.02 -25.32 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.671 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -108.51 -51.49 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.05 -32.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.34 -53.08 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.6 m-20 -63.27 -45.24 92.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -112.49 95.11 30.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.62 42.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.51 -55.4 0.36 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.593 ' O ' HG22 ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.593 HG22 ' O ' ' B' ' 303' ' ' PRO . 15.3 t 45.76 -160.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.467 ' O ' HG13 ' B' ' 306' ' ' VAL . 14.5 t -168.44 30.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.596 HG12 ' HD3' ' B' ' 309' ' ' ARG . 0.5 OUTLIER -153.81 36.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -1.15 29.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -116.97 14.39 13.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.596 ' HD3' HG12 ' B' ' 306' ' ' VAL . 1.7 mpt_? -138.43 -64.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.9 t30 61.49 137.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.775 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 m-20 155.08 166.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -56.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.726 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.29 -35.56 79.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.775 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.64 -34.21 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.71 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -64.77 -61.71 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -59.0 -31.63 68.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.43 -33.13 74.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -67.17 -46.57 73.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 1.033 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.35 -35.53 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.2 t -62.06 -54.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -45.69 90.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.436 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 4.2 t80 -57.98 -32.04 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 1.006 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -72.54 -44.51 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -40.04 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -102.51 43.53 1.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.709 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.7 OUTLIER -41.25 121.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 2.2 m-20 -73.87 -43.88 57.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.438 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 0.9 OUTLIER -46.6 -24.19 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' B' ' 336' ' ' ARG . 15.7 m -54.78 -47.79 73.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.2 OUTLIER -54.19 -29.77 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.48 -51.65 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' B' ' 334' ' ' LEU . . . -80.12 53.57 1.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.537 ' HB2' HH21 ' B' ' 336' ' ' ARG . 8.1 pt-20 -47.31 -22.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -77.88 -52.42 8.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -71.02 -15.69 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' B' ' 333' ' ' GLU . 0.4 OUTLIER -37.88 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.58 -51.06 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.931 HD12 ' OD2' ' B' ' 341' ' ' ASP . 37.0 mt -107.67 -14.24 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.87 -54.92 2.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.744 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.8 pp -96.7 19.97 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.931 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.3 OUTLIER -52.73 -27.35 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.73 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -70.59 -25.47 63.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.5 mm? -77.91 -51.64 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.771 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.9 p -67.68 -11.96 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 344' ' ' VAL . 2.1 tt0 -34.66 -43.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 159.94 135.29 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -112.49 -84.6 1.39 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -113.56 -70.16 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.52 -89.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.457 ' O ' HG13 ' B' ' 351' ' ' VAL . 14.4 p-10 -136.88 -155.65 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -157.61 105.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.592 HD21 ' CG2' ' B' ' 344' ' ' VAL . 0.1 OUTLIER 39.75 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 155.36 -47.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.0 126.48 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.71 75.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.683 HG21 ' O ' ' B' ' 359' ' ' GLY . 2.7 m -43.11 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.771 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.0 3.62 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.789 ' CB ' HD11 ' B' ' 361' ' ' LEU . 22.5 ttt-85 -125.44 -46.17 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.683 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 163.98 -62.88 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.471 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -131.46 -53.04 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.97 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.789 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 62.77 137.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -46.4 163.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -62.87 -47.99 80.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.501 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -170.58 159.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.501 ' H ' HD13 ' A' ' 6' ' ' ILE . 48.0 m -63.68 138.07 97.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' B' ' 315' ' ' LEU . 18.0 Cg_endo -75.07 -65.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 12' ' ' GLN . 3.4 m -37.19 -39.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.4 -29.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' B' ' 315' ' ' LEU . 0.1 OUTLIER -66.18 -50.75 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -60.12 -30.47 69.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -73.26 -43.86 60.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD1' ' A' ' 40' ' ' LEU . 3.9 tt -59.78 -59.73 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -30.22 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 6.0 ttt180 -75.16 -21.38 58.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.742 HG23 ' CB ' ' A' ' 29' ' ' GLN . 13.7 m -76.59 -52.87 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.747 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.4 mm? -47.88 -26.16 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.7 mptp? -55.95 -36.96 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.589 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.27 -177.04 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.589 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -38.52 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.507 1.793 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 m 91.59 83.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.593 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.12 -60.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.593 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -102.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.94 -49.58 75.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.685 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -32.99 -60.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.531 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.37 -48.83 3.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.531 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.78 -27.96 61.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.742 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.5 mm100 -68.87 -51.55 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.07 -53.18 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.42 -32.29 73.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -59.21 -66.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.32 -42.29 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 41' ' ' MET . 0.3 OUTLIER -57.26 -27.14 61.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 9.6 mtmt -90.65 -36.55 14.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -73.87 -12.75 60.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' LEU . 12.2 m-80 -153.34 105.99 2.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.545 1.813 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.2 tp-100 -58.06 -34.31 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.084 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -72.26 -48.97 38.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.737 ' HB2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -56.08 -23.72 35.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.563 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.98 -40.26 66.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.487 ' HB1' ' CG2' ' B' ' 320' ' ' VAL . . . -67.59 -54.79 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.707 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.5 t80 -56.14 -55.91 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.05 -35.82 7.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.703 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.3 mmpt? -75.78 -33.22 60.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.56 ' HB3' HD13 ' B' ' 323' ' ' LEU . 2.7 mm-40 -72.52 -46.69 53.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.603 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.6 -37.67 79.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.703 HG22 ' HA ' ' A' ' 46' ' ' LYS . 6.6 t -78.99 -21.57 46.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.18 -9.16 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' B' ' 340' ' ' ILE . 16.4 tppt? -89.7 -26.21 20.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.913 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.37 -52.89 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.27 -31.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -75.23 -57.12 4.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.4 m-20 -59.3 -45.93 89.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -113.61 92.84 25.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 147.58 33.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -52.18 5.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' B' ' 304' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.811 ' O ' HG23 ' B' ' 305' ' ' THR . 15.3 t 37.34 -153.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.811 HG23 ' O ' ' B' ' 304' ' ' THR . 0.7 OUTLIER -164.02 40.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.538 HG13 ' O ' ' B' ' 305' ' ' THR . 27.1 m -157.75 38.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -10.75 56.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.342 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -104.16 19.29 43.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' B' ' 306' ' ' VAL . 1.2 mpt_? -143.6 -60.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.522 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 4.6 t30 60.99 139.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.755 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 t70 154.23 166.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.55 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.1 tt0 -38.04 -56.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.751 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.29 -36.25 79.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.755 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.84 -32.35 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.578 ' HA ' HD13 ' A' ' 11' ' ' LEU . 10.9 mp -65.44 -62.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.796 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.33 -30.51 66.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.42 -34.98 76.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.66 -49.73 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.862 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -73.08 -42.48 62.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.862 ' N ' HD13 ' B' ' 319' ' ' LEU . 21.1 t -53.23 -54.27 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -48.99 77.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -58.41 -31.51 67.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.747 HD21 ' HG ' ' A' ' 18' ' ' LEU . 4.6 mt -69.05 -45.79 69.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -53.37 41.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.79 49.25 3.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.559 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.0 OUTLIER -41.5 126.51 2.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.761 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.9 -35.5 43.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -47.3 -28.85 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.67 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.53 -32.38 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 110.415 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -58.34 -53.92 52.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 13.4 tp -78.66 -42.44 28.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.63 51.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 5.8 pt-20 -56.59 -21.71 28.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' B' ' 334' ' ' LEU . 1.7 tm? -83.43 -45.45 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.748 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.4 m-20 -72.44 -15.15 61.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.67 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -41.43 -27.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -37.77 -61.14 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' B' ' 341' ' ' ASP . 5.8 mp -96.96 -18.98 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.88 -45.81 3.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.735 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -109.91 23.1 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.594 ' CG ' HD13 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -52.48 -33.01 42.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.913 ' H ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -64.36 -21.07 66.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -81.37 -45.97 15.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.657 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -79.65 -4.55 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.532 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.9 tt0 -35.13 -46.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 156.56 99.51 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.4 23.89 28.98 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 85.65 85.81 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.42 70.49 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 0.758 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.435 ' C ' HG12 ' B' ' 351' ' ' VAL . 5.8 m-20 -174.49 71.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.435 HG12 ' C ' ' B' ' 350' ' ' ASP . 0.1 OUTLIER -168.13 114.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.913 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -48.7 -23.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.546 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.9 OUTLIER 54.72 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -53.31 3.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.3 mp -124.44 47.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.9 m 29.12 92.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.657 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 3.61 5.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.777 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -127.89 -67.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.543 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 152.01 71.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.9 t 85.46 78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.777 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -139.39 160.74 39.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -47.01 -62.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.58 -71.13 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.4 144.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m -68.48 149.91 97.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.623 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -67.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.5 m -33.79 -32.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.717 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.48 -58.43 8.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.068 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.94 -31.28 28.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.24 -33.05 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -75.02 -33.25 61.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.055 HD12 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -66.09 -65.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.06 -34.09 28.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 18.4 ttt180 -73.5 -28.47 61.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -68.33 -46.16 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -53.94 -19.82 5.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 16.2 mmtm -63.34 -35.23 79.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.32 -178.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -34.8 3.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.8 p 89.49 84.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.6 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.99 -61.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.179 . . . . 0.0 109.987 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.6 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.92 -102.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.6 mm-40 -61.14 -50.97 71.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tm0? -32.59 -60.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.522 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -42.31 -48.2 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.522 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -73.25 -27.19 61.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.705 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.3 mt-30 -68.5 -52.25 34.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.889 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.94 -52.0 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -32.23 73.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.0 m-20 -60.18 -61.8 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -64.35 -62.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -38.39 -33.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 13.3 mttm -66.58 -53.43 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.2 m -94.18 16.82 13.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.717 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 9.5 m-80 -134.58 87.25 32.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -81.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -50.02 -21.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.055 HD11 HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -82.86 -46.47 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 13.6 ttt -59.18 -26.91 65.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.59 -42.21 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.9 -60.94 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' HB2' HD11 ' A' ' 14' ' ' LEU . 1.2 t80 -53.49 -57.54 10.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.617 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.65 -37.22 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.789 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.4 mmpt? -72.59 -34.07 67.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.563 ' NE2' HG13 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -70.34 -46.82 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 9.0 ptm180 -69.5 -44.47 71.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.4 t -71.78 -23.0 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.448 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -63.04 -9.86 11.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG2' HD11 ' B' ' 340' ' ' ILE . 9.7 tppt? -90.23 -25.89 20.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.864 ' CG ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.46 -52.44 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.32 -33.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -65.19 -55.57 17.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 4.4 m-20 -68.46 -37.36 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.6 pp0? -113.73 95.03 35.6 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -170.46 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.34 54.57 0.39 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 111.023 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.426 HG23 ' N ' ' B' ' 305' ' ' THR . 5.2 t -65.73 -49.87 66.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' B' ' 306' ' ' VAL . 0.2 OUTLIER 59.4 79.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 309' ' ' ARG . 0.9 OUTLIER 167.87 -23.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -39.47 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -75.38 -2.52 68.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -120.92 -67.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.319 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.7 t30 61.47 130.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.613 ' C ' HD13 ' B' ' 315' ' ' LEU . 0.5 OUTLIER 154.71 158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.566 ' O ' HD23 ' B' ' 316' ' ' LEU . 0.9 OUTLIER -38.86 -53.08 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.327 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.917 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.49 -33.79 75.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.917 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -73.61 -27.3 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.613 HD13 ' C ' ' B' ' 311' ' ' ASP . 11.0 mp -65.88 -61.39 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -63.73 -35.0 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.4 mm-40 -63.76 -37.79 88.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.26 -50.0 69.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.861 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.13 -33.72 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 316' ' ' LEU . 25.3 t -64.05 -54.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -43.15 71.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -66.75 -32.37 73.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.0 mt -68.97 -45.22 71.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -54.1 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.68 53.77 4.57 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.655 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.2 tppp? -45.69 117.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.98 56.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.47 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 15.5 tp10 -50.41 -31.73 15.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 29.0 m -54.98 -29.92 58.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -56.37 -53.6 55.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.098 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.72 -50.11 46.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.31 52.09 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -47.87 -23.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.487 ' C ' HD13 ' B' ' 334' ' ' LEU . 1.8 tm? -77.32 -52.14 9.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.618 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 0.6 OUTLIER -65.23 -16.47 63.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.2 OUTLIER -44.4 -26.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -39.64 -61.72 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -94.7 -17.31 22.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 80.81 -49.88 4.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -108.07 20.05 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.517 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.2 OUTLIER -54.08 -27.75 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.729 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -71.91 -20.22 61.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' B' ' 342' ' ' LYS . 2.6 mm? -84.83 -47.84 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.857 ' O ' HG11 ' B' ' 351' ' ' VAL . 5.8 p -73.75 -3.33 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.497 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -40.11 -42.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 159.41 135.32 1.83 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -106.94 -118.98 4.43 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -98.09 -60.87 0.91 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -71.72 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.88 -160.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.857 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -136.28 -105.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.864 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.86 -3.58 5.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.42 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.1 OUTLIER 64.04 -73.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -38.88 155.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.4 mt 41.39 63.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.2 m -37.53 98.25 0.15 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.827 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.97 4.93 4.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 40.0 ttt180 -121.94 -45.88 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 146.88 -36.22 1.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 9.8 t -169.49 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.787 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.959 -0.439 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -167.43 158.52 11.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 147.88 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m 39.6 -148.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -176.51 154.06 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 m -60.43 140.57 91.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -53.66 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -38.42 -40.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -42.97 -31.1 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.714 HD13 HD12 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -62.28 -47.32 84.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.504 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.0 -32.66 73.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.54 -34.26 62.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.824 HD12 ' HG ' ' B' ' 319' ' ' LEU . 0.6 OUTLIER -69.1 -64.46 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.036 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.86 -36.48 48.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -71.91 -35.9 69.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.787 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.2 m -59.32 -37.97 79.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD22 HD21 ' B' ' 323' ' ' LEU . 2.3 mt -72.05 -30.92 65.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE2' HD21 ' A' ' 15' ' ' LEU . 2.3 mptp? -51.68 -23.83 4.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.601 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -62.6 -176.76 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -75.07 -34.92 3.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.0 t 89.15 84.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.61 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -61.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.61 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.98 -101.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.43 1.753 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' GLN . 15.6 mt-30 -60.78 -50.72 72.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -32.01 -59.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.9 pt20 -42.31 -50.08 5.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -72.26 -26.02 61.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.83 -52.53 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.716 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.58 -51.6 69.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.4 -31.7 72.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.3 m-20 -61.76 -68.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -55.41 -46.96 78.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -53.68 -28.46 33.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -89.53 -50.48 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 24.1 m -74.39 0.56 14.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.723 ' HB3' HD23 ' A' ' 40' ' ' LEU . 11.2 m-80 -157.34 108.05 1.86 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CD ' ' O ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -50.43 -40.11 49.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD23 ' HB3' ' A' ' 37' ' ' ASN . 3.4 mm? -60.73 -53.53 56.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.5 OUTLIER -50.98 -42.92 60.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.589 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.7 -48.93 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.09 -61.26 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.788 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.7 t80 -54.54 -58.86 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.645 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -45.51 -38.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.589 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.2 mmpt? -66.28 -39.6 89.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' PHE . 15.3 mm-40 -67.55 -43.96 79.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.583 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -65.19 -44.7 87.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.636 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -68.79 -27.16 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.93 -11.56 8.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.862 ' HD2' HD23 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -89.7 -28.59 19.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.827 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -101.76 -46.62 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.5 OUTLIER -52.58 -26.4 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.37 22.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 87.9 m-20 -149.92 -48.06 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -86.12 123.89 71.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.36 6.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.4 -66.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 111.013 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' B' ' 305' ' ' THR . 1.8 t -134.06 -177.95 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.39 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.439 HG22 ' CG2' ' B' ' 306' ' ' VAL . 19.5 m -160.85 -70.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' B' ' 305' ' ' THR . 1.7 t -112.27 91.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.625 ' O ' HD13 ' B' ' 315' ' ' LEU . 2.0 pp20? -126.41 -51.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.515 ' N ' ' CD ' ' B' ' 307' ' ' GLU . . . -108.57 31.51 7.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -118.73 -35.67 3.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.496 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -95.12 -77.14 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 4.9 t70 -177.97 -151.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' B' ' 316' ' ' LEU . 32.5 tt0 -57.1 -52.37 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.82 -33.82 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -64.0 -38.06 89.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.714 HD12 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -62.61 -60.51 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.822 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -56.97 -28.93 62.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.438 ' HG3' ' HZ2' ' B' ' 313' ' ' LYS . 5.1 mm-40 -68.25 -36.55 79.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.516 ' NE2' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -62.34 -48.76 78.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.863 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -72.09 -41.31 67.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.863 ' N ' HD13 ' B' ' 319' ' ' LEU . 25.3 t -56.47 -53.72 37.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.23 -51.87 65.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.664 ' HE1' HD13 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -56.89 -31.89 65.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.816 HD21 HD22 ' A' ' 18' ' ' LEU . 5.4 mt -67.28 -44.49 79.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -54.16 36.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.69 45.7 2.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.766 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 4.3 tppp? -41.93 125.66 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -39.39 71.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.16 -23.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.91 HG23 ' HA ' ' B' ' 336' ' ' ARG . 32.4 m -66.37 -28.19 68.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.58 -38.01 80.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.79 -50.38 7.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.703 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.28 51.74 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -47.6 -23.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -52.32 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.703 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.6 m-20 -68.33 -16.03 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.91 ' HA ' HG23 ' B' ' 329' ' ' THR . 66.8 ttt-85 -39.53 -28.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.533 ' HB3' HD12 ' B' ' 338' ' ' LEU . . . -48.0 -48.17 32.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.862 HD23 ' HD2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -88.55 -30.61 19.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.532 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.65 -4.02 23.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.745 HD11 ' HB2' ' A' ' 51' ' ' LYS . 2.4 pp -156.41 21.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HB2' HD13 ' B' ' 338' ' ' LEU . 5.7 t70 -54.98 -19.4 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -25.91 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.766 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 10.1 mt -84.04 -32.03 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.936 HG11 HD21 ' B' ' 352' ' ' LEU . 1.9 t -76.1 -14.92 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.2 OUTLIER -30.91 -41.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 150.91 148.19 4.73 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . 0.426 ' O ' ' NH2' ' A' ' 48' ' ' ARG . . . 138.36 158.24 7.69 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 87.9 -48.92 3.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.5 tp -169.02 -50.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -174.5 -169.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.628 HG23 ' N ' ' B' ' 352' ' ' LEU . 32.3 m -117.23 -132.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.936 HD21 HG11 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -123.1 -38.57 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.586 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 2.0 t 92.92 -53.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.41 -70.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' B' ' 357' ' ' PRO . 13.5 mt -98.2 70.14 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.624 HG12 HD23 ' B' ' 361' ' ' LEU . 4.4 m -35.8 97.09 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.48 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.01 1.74 7.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.815 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.81 -42.64 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.249 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 116.26 78.22 0.7 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.509 ' C ' HD22 ' B' ' 361' ' ' LEU . 4.4 p 83.08 81.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.815 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -136.21 114.67 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.98 122.88 6.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 m 59.49 -176.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.755 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 173.92 140.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -67.72 148.42 98.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.633 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 9.84 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 p -101.63 -10.36 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.35 -63.36 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.835 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.84 -31.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.59 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.0 mt-30 -75.35 -41.17 57.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.23 -30.16 66.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -68.43 -68.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.75 -33.12 21.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 7.6 ttm180 -75.62 -28.7 58.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.798 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -68.25 -40.29 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.82 ' CD1' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -63.38 -30.89 71.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.0 OUTLIER -51.27 -34.14 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.623 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.5 -175.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -35.39 3.16 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.779 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.605 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.1 m 88.74 84.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.634 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.23 -62.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.99 -95.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 31.1 mt-30 -59.67 -52.69 64.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.713 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -30.16 -60.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -41.65 -49.57 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.542 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -73.28 -27.63 61.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.798 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.4 mm-40 -69.57 -53.82 17.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -57.02 -52.84 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -58.87 -38.16 78.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.11 -69.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.765 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -53.86 -60.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.485 HD13 HG13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -39.0 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 mtmp? -86.61 -53.36 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.8 m -77.11 -0.38 24.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 33' ' ' ILE . 7.1 m120 -142.65 98.91 5.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -29.06 8.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -77.71 -45.5 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' CD2' HG21 ' A' ' 6' ' ' ILE . 3.8 mm? -60.87 -50.85 71.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.502 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 ptt? -48.52 -41.84 31.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -61.39 -46.44 90.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.69 -51.97 43.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.6 t80 -58.65 -56.6 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -49.1 -37.87 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.6 mmpt? -66.58 -40.67 89.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.734 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.9 OUTLIER -74.98 -23.81 58.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.519 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.24 -33.79 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.602 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t -87.67 -15.37 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -9.46 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.645 ' CB ' HD11 ' B' ' 340' ' ' ILE . 1.0 OUTLIER -88.93 -25.24 22.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.919 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -109.01 -51.82 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.99 -32.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -50.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 1.2 m-20 -63.25 -46.61 86.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 1.1 pp0? -110.68 97.77 34.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 82.61 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.94 75.07 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.554 ' O ' HG22 ' B' ' 305' ' ' THR . 0.7 OUTLIER -92.17 -38.51 12.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.729 HG23 HG13 ' B' ' 306' ' ' VAL . 5.4 t 45.22 -169.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.844 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 30.1 m 46.92 24.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' B' ' 305' ' ' THR . 1.0 OUTLIER -91.85 -17.0 25.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -107.98 -8.56 29.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.447 ' NE ' ' OD1' ' B' ' 311' ' ' ASP . 0.0 OUTLIER -107.95 -59.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.547 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.5 t-20 60.9 139.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.635 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 151.59 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.653 ' O ' HD23 ' B' ' 316' ' ' LEU . 22.9 tt0 -40.0 -55.14 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.976 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -61.27 -33.07 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.976 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -72.29 -30.44 64.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.5 mm? -65.2 -62.17 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.857 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 3.7 mm-40 -65.53 -34.88 79.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -66.1 -47.88 72.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -72.09 -33.88 68.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 316' ' ' LEU . 32.4 t -64.07 -54.39 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -38.26 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -70.97 -31.7 68.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.82 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.2 mt -70.45 -44.31 68.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -50.16 62.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.44 52.0 2.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.614 ' HZ3' HD12 ' A' ' 18' ' ' LEU . 2.6 tppp? -41.0 118.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.94 83.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -52.5 -30.76 31.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.543 HG23 ' HA ' ' B' ' 336' ' ' ARG . 55.1 m -51.37 -38.1 51.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.66 -46.59 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.1 tt -74.3 -44.76 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.46 51.27 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -48.0 -23.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.2 OUTLIER -80.54 -47.81 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.729 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 30.3 m-20 -70.33 -14.97 62.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.543 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.8 OUTLIER -34.46 -36.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.58 -62.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.467 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -99.23 -16.32 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.47 ' O ' ' CE ' ' B' ' 342' ' ' LYS . . . 69.33 -52.03 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.645 HD11 ' CB ' ' A' ' 51' ' ' LYS . 2.5 pp -97.76 20.97 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.544 ' HA ' HG12 ' B' ' 344' ' ' VAL . 3.0 t0 -52.53 -19.19 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -77.18 -27.77 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.635 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.38 -45.76 21.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.806 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.4 p -73.25 -4.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 3.6 tt0 -41.4 -46.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.491 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 147.89 -98.9 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.18 11.9 74.82 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' B' ' 349' ' ' LEU . . . 158.82 -69.98 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' B' ' 348' ' ' GLY . 0.2 OUTLIER 165.17 78.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -156.25 52.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.491 ' CG1' ' HA2' ' B' ' 346' ' ' GLY . 0.7 OUTLIER -131.49 168.86 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.919 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -107.86 52.1 0.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.442 ' N ' HG23 ' B' ' 351' ' ' VAL . 20.6 m 37.4 -99.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER 42.24 -162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.4 OUTLIER -41.32 96.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.5 m -35.23 96.49 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.806 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.09 4.08 5.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.8 ' CB ' HD11 ' B' ' 361' ' ' LEU . 5.6 ttp85 -123.89 -41.67 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 139.67 -42.41 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.479 ' C ' HD22 ' B' ' 361' ' ' LEU . 6.1 t -158.93 88.23 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.816 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.045 -0.406 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 6.8 t30 80.86 -56.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.67 139.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -44.51 -86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.782 HD11 ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -173.42 148.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -70.25 140.84 88.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.917 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -18.79 18.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -82.76 -39.91 21.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' HB1' HD21 ' A' ' 37' ' ' ASN . . . -51.09 -60.66 2.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.935 HD13 HD12 ' B' ' 315' ' ' LEU . 0.7 OUTLIER -42.54 -53.19 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' N ' HD12 ' A' ' 11' ' ' LEU . 26.7 mt-30 -55.5 -44.91 77.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 2.3 m-20 -59.74 -32.71 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.969 HD22 ' HG ' ' B' ' 319' ' ' LEU . 7.0 tt -69.16 -59.46 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' B' ' 322' ' ' PHE . 1.5 tm? -53.39 -39.04 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -75.19 -24.95 57.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.764 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.07 -31.31 65.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.952 HD22 HD21 ' B' ' 323' ' ' LEU . 3.8 mt -75.75 -23.41 55.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.49 -21.51 64.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.628 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -58.6 -175.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.628 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -34.23 4.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.527 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.0 t 86.82 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.627 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.02 -62.16 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.627 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.3 mt-30 -60.66 -51.94 67.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.65 ' O ' HG13 ' A' ' 30' ' ' VAL . 9.2 tm0? -30.77 -60.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.562 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -43.72 -50.73 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.2 mt-30 -71.61 -24.02 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.764 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.8 mt-30 -70.21 -50.62 38.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.39 -51.5 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -64.33 -33.3 75.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.5 m-20 -58.65 -59.32 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.54 -60.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -35.69 -34.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' ILE . 11.8 mttm -64.74 -53.51 46.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' ILE . 43.1 m -100.58 23.69 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 1.6 m-80 -128.53 90.09 47.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.782 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.5 Cg_endo -74.98 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' CB ' ' CG1' ' A' ' 6' ' ' ILE . 0.7 OUTLIER -70.96 -19.85 62.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.635 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -85.07 -55.23 4.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.562 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -49.13 -49.09 43.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.38 -41.69 66.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.19 -60.59 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.705 ' HD2' HD21 ' A' ' 14' ' ' LEU . 2.4 t80 -54.98 -56.27 21.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -46.38 -43.09 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.44 -33.54 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.6 mm100 -68.63 -39.02 80.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.629 HH21 ' CG1' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -72.14 -46.23 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 3.3 t -67.33 -26.76 66.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.77 -11.26 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.748 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.6 OUTLIER -89.87 -26.46 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.855 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -105.95 -52.47 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.12 -36.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -62.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.9 m-80 -62.31 -51.63 66.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -108.84 100.3 38.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.39 -62.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.688 HG23 ' N ' ' B' ' 305' ' ' THR . 0.7 OUTLIER -134.99 -167.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.688 ' N ' HG23 ' B' ' 304' ' ' THR . 9.1 t -149.13 -172.63 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.365 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.621 HG13 HG23 ' B' ' 305' ' ' THR . 11.1 m 41.99 28.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' B' ' 305' ' ' THR . 11.0 pt-20 -68.04 -45.71 73.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -82.19 9.82 56.14 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.935 ' HE ' ' HZ3' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -120.54 -66.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.8 t30 61.26 144.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.811 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.9 m-20 151.02 164.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.8 OUTLIER -38.49 -56.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.935 ' HZ3' ' HE ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -64.1 -31.79 73.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.811 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -69.3 -33.21 72.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.935 HD12 HD13 ' A' ' 11' ' ' LEU . 4.4 mm? -64.82 -61.65 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.829 ' O ' HG23 ' B' ' 320' ' ' VAL . 1.6 pp -59.47 -31.73 69.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -68.24 -32.78 73.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 1.8 tt0 -66.82 -44.48 81.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.969 ' HG ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.45 -39.84 52.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 316' ' ' LEU . 41.9 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.97 -48.86 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.685 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -57.88 -29.64 65.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.952 HD21 HD22 ' A' ' 18' ' ' LEU . 5.8 mt -71.01 -46.24 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.13 -52.41 58.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.08 50.21 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.093 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.784 ' NZ ' HD23 ' B' ' 323' ' ' LEU . 7.1 tppt? -45.57 129.26 8.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.61 -24.64 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.15 -25.6 33.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.608 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.92 -41.09 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -54.77 -64.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.42 -45.96 90.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.818 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.41 50.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.35 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 7.9 pt-20 -54.79 -22.15 13.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -37.23 24.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.818 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 9.4 m-20 -76.49 -16.25 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.608 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.5 mtm180 -39.15 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.228 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.02 -53.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 51' ' ' LYS . 3.8 mm? -110.2 -10.2 14.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.36 -53.85 3.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.748 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -114.66 21.46 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' B' ' 338' ' ' LEU . 1.1 t0 -46.94 -41.84 16.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.623 ' CD ' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -52.62 -32.78 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.723 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.5 mm? -78.54 -27.74 45.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.855 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.2 t -85.35 -10.04 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.519 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 12.4 pt20 -36.45 -43.64 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 179.56 -80.23 0.06 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . 0.458 ' C ' HD21 ' A' ' 31' ' ' LEU . . . 71.31 45.91 45.16 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 111.63 31.19 2.82 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 4.8 tt 56.59 78.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.39 112.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.835 HG23 ' H ' ' B' ' 353' ' ' SER . 19.6 m -139.5 -136.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.638 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -132.75 25.78 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.835 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.5 t 36.6 39.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.96 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.19 144.0 29.63 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.9 OUTLIER 40.1 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.655 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.1 m -37.21 97.75 0.14 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.469 ' HB2' ' N ' ' B' ' 345' ' ' GLN . 18.2 Cg_endo -75.03 -10.85 21.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.547 1.814 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.739 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -111.13 -31.41 7.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.655 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 147.21 -70.52 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.504 ' C ' HD22 ' B' ' 361' ' ' LEU . 1.4 t -119.85 -64.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.739 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.11 165.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -68.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -99.27 -71.45 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.962 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.72 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 171.72 170.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.58 ' N ' HG23 ' A' ' 6' ' ' ILE . 69.6 m -92.94 136.41 24.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.831 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.3 p -89.27 -35.84 15.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' OD1' ' A' ' 37' ' ' ASN . . . -53.19 -57.56 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.029 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -39.15 -49.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -45.57 77.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.3 m-20 -67.2 -28.61 68.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.019 ' HB3' HD22 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -62.28 -72.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -32.77 49.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -72.24 -24.37 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.766 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -78.46 -41.83 31.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.2 mm? -62.16 -18.33 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' SER . 32.1 mttt -65.61 -34.38 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.57 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.97 -177.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.98 -34.58 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.439 1.757 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.5 m 88.35 82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER 164.15 -61.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -104.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' GLN . 11.5 mt-30 -59.69 -48.84 80.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -33.32 -59.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.54 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.4 pt20 -42.67 -48.77 5.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.1 mt-30 -73.64 -26.04 60.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.766 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.6 mt-30 -71.4 -53.03 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.69 -50.45 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.587 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.55 -30.97 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.6 m-20 -60.67 -51.32 69.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.53 -41.02 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.5 OUTLIER -60.36 -29.7 69.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.7 ptpt -88.11 -33.2 18.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -88.82 -1.66 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.57 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.9 m-80 -155.41 108.64 2.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -56.63 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB3' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -46.87 -39.96 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD23 HD12 ' A' ' 6' ' ' ILE . 4.5 mm? -65.98 -50.31 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.633 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -50.95 -38.56 51.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -54.7 -45.27 73.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.94 -57.02 6.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 18' ' ' LEU . 5.3 t80 -54.57 -55.54 28.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.48 -39.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.916 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.5 mp0 -74.94 -15.97 60.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.614 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.1 ttm180 -91.75 -26.56 18.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 11.3 t -95.61 -15.66 22.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.4 -13.86 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.04 ' CE ' HD13 ' B' ' 338' ' ' LEU . 6.7 tmtt? -87.55 -27.74 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -102.78 -45.67 4.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 110.988 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' NE2' ' A' ' 56' ' ' GLN . 0.4 OUTLIER -54.37 -16.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -106.45 24.2 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.573 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 29.8 p30 -164.55 21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' A' ' 53' ' ' VAL . 12.8 pt20 -131.93 118.88 16.65 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 81.4 2.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' MET . . . -45.29 -65.03 2.03 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' GLY . 3.9 mtm . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.546 ' O ' HG22 ' B' ' 305' ' ' THR . 1.0 OUTLIER -78.29 -35.2 48.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.735 HG23 HG13 ' B' ' 306' ' ' VAL . 5.5 t 44.98 -170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.92 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 28.5 m 46.74 24.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' B' ' 308' ' ' GLY . 9.3 pt-20 -83.68 -37.89 22.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' B' ' 307' ' ' GLU . . . -93.8 3.98 71.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.438 ' HD2' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -117.01 -68.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.292 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.0 t30 61.66 131.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER 156.88 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.594 ' O ' HD23 ' B' ' 316' ' ' LEU . 7.3 tt0 -39.16 -54.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.955 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.93 -34.6 77.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.955 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.36 -31.95 69.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 1.029 HD12 HD13 ' A' ' 11' ' ' LEU . 4.3 mm? -64.24 -61.15 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.768 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.3 OUTLIER -58.97 -31.96 69.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 11.3 mm-40 -68.92 -31.75 70.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -67.17 -46.93 72.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 1.019 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -76.3 -31.21 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.916 HG13 ' CD ' ' A' ' 47' ' ' GLN . 8.8 t -65.16 -55.86 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -42.82 99.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.4 OUTLIER -62.1 -31.59 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.657 HD21 HD12 ' A' ' 18' ' ' LEU . 4.7 mt -71.72 -42.23 67.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.07 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.58 53.25 3.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.492 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.68 113.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 7.3 m-20 -77.48 -26.31 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 7.5 tp10 -55.25 -18.57 6.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -37.85 72.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -54.75 -34.26 62.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 332' ' ' ALA . 1.9 tt -90.44 -54.49 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.529 ' HB1' ' OD2' ' B' ' 335' ' ' ASP . . . -79.77 53.74 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -48.22 -22.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.98 -52.45 19.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.529 ' OD2' ' HB1' ' B' ' 332' ' ' ALA . 45.0 m-20 -68.99 -16.87 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -28.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -44.26 -56.34 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 1.04 HD13 ' CE ' ' A' ' 51' ' ' LYS . 13.0 mt -109.07 -9.65 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.43 -59.23 3.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.8 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.4 pp -92.06 9.26 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.791 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.5 OUTLIER -53.84 -19.68 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -82.12 -18.25 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -85.27 -45.75 11.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.259 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 1.045 ' O ' HG11 ' B' ' 351' ' ' VAL . 3.5 p -71.68 -7.61 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.508 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -30.14 -47.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 179.0 143.79 5.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 133.55 98.29 0.64 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 114.74 81.71 1.0 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.81 72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.431 ' C ' ' CG2' ' B' ' 351' ' ' VAL . 2.7 m-20 40.3 47.45 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 1.045 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER 39.65 -101.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.615 HD22 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -133.22 3.61 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.452 ' O ' ' C ' ' B' ' 354' ' ' LYS . 0.5 OUTLIER 61.92 -71.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.021 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.7 151.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.1 mm? 44.46 65.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' B' ' 355' ' ' LEU . 5.4 m -37.25 97.69 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.857 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.96 5.51 3.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.57 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.3 tmt_? -134.64 -67.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.18 66.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 89.78 76.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.671 HD22 ' N ' ' B' ' 361' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -153.05 86.98 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -179.07 1.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -88.78 14.7 9.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER 78.37 170.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.567 ' N ' HG23 ' A' ' 6' ' ' ILE . 11.1 m -92.65 135.71 26.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 1.122 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 4.01 5.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -102.67 -11.36 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -76.88 -57.15 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.122 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.13 -28.35 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.743 ' H ' HD22 ' A' ' 11' ' ' LEU . 27.2 mt-30 -71.41 -39.85 70.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 10' ' ' ALA . 57.9 m-20 -73.8 -27.95 61.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.97 -68.01 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -33.1 62.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 17.5 ttm180 -74.18 -24.93 59.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.817 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -72.57 -39.07 67.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.751 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.3 mm? -64.64 -27.89 69.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' SER . 1.8 mptm? -53.65 -36.46 62.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.49 -178.13 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -33.32 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 t 87.98 83.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.94 -61.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.99 -100.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' GLN . 5.0 mt-30 -61.58 -51.34 68.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.677 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.69 -60.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -42.01 -49.98 4.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.73 -26.21 61.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.817 ' CB ' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.96 -51.06 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -60.42 -52.6 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.91 -35.94 77.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.9 m-20 -58.83 -69.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.42 -56.99 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -43.36 -29.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -91.1 -44.59 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -74.92 2.41 10.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' ILE . 27.3 m-80 -163.56 114.26 1.01 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.48 -43.94 62.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.642 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.1 mm? -57.29 -51.74 68.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 45' ' ' ILE . 9.9 ttt -50.31 -42.97 53.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.7 -37.95 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.02 -61.14 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.4 t80 -60.27 -56.58 19.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -41.78 -48.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -59.88 -43.17 94.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.55 -47.09 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' B' ' 343' ' ' LEU . 0.2 OUTLIER -62.67 -49.64 74.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.641 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -68.44 -19.74 64.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.16 -9.16 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.669 ' HG2' HD11 ' B' ' 340' ' ' ILE . 15.0 tppt? -93.16 -23.82 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.44 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -38.78 -31.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.89 -57.61 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.0 m-20 -62.9 -51.56 66.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -111.69 96.95 35.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 90.69 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.06 75.24 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.417 HG23 ' N ' ' B' ' 305' ' ' THR . 12.3 t -59.91 -48.91 79.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 307' ' ' GLU . 12.2 m 71.57 -59.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' B' ' 317' ' ' GLU . 7.7 p -68.48 67.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 305' ' ' THR . 2.1 pp20? -104.0 -31.83 9.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -83.93 10.63 59.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.501 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -118.63 -68.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.75 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.2 t30 61.66 133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.792 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.3 m-20 151.38 164.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 3.2 pt-20 -35.35 -61.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.633 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -59.5 -40.47 87.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.792 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -59.12 -40.45 85.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.627 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.04 -48.67 80.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.895 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -67.91 -36.99 81.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.78 ' HB2' HG11 ' B' ' 306' ' ' VAL . 2.8 mm-40 -55.91 -36.34 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -71.63 -49.82 36.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -70.21 -58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.895 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -48.91 -38.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.9 t -63.06 -55.21 27.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -31.12 71.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.751 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.1 mt -68.67 -44.02 74.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -49.85 62.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -98.18 49.36 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.564 1.165 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.755 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.4 tppp? -41.21 102.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -27.86 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -24.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.463 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.9 OUTLIER -51.38 -27.22 9.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.77 -47.48 86.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' B' ' 331' ' ' LEU . 0.2 OUTLIER -77.34 -53.12 8.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.806 ' HB1' ' OD1' ' B' ' 335' ' ' ASP . . . -80.19 51.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -48.98 -22.92 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -52.12 13.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.806 ' OD1' ' HB1' ' B' ' 332' ' ' ALA . 35.6 m-20 -65.28 -17.45 64.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.463 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -39.1 -30.61 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.26 -61.03 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.432 ' N ' HD22 ' B' ' 338' ' ' LEU . 3.2 mm? -100.42 -12.75 19.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 77.5 -52.77 3.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.771 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.8 pp -106.6 19.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.505 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -56.89 -17.44 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -81.03 -5.27 57.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.771 HD13 ' HB ' ' B' ' 340' ' ' ILE . 3.5 mp -99.8 -40.71 7.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.65 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -74.56 -3.65 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' B' ' 344' ' ' VAL . 3.5 pt20 -35.65 -34.53 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . -179.29 130.7 1.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . 0.416 ' HA3' ' NH2' ' A' ' 48' ' ' ARG . . . -129.07 -128.55 3.07 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -92.12 -73.06 1.23 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.76 49.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.32 -177.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.58 ' HB ' HG22 ' B' ' 344' ' ' VAL . 1.2 m -93.17 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.794 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -104.55 -12.63 16.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.636 ' N ' HD22 ' B' ' 352' ' ' LEU . 13.7 t -44.3 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.4 -48.76 4.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.677 ' O ' HG13 ' B' ' 356' ' ' VAL . 6.1 mp -82.17 -102.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.886 HG21 ' O ' ' B' ' 359' ' ' GLY . 5.8 m -159.57 104.83 1.48 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.65 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 3.63 5.46 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.564 1.823 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.718 ' CB ' HD11 ' B' ' 361' ' ' LEU . 7.1 ttt180 -126.31 -46.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.886 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 164.92 -64.02 0.23 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.424 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.6 OUTLIER -130.63 -51.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.005 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.718 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.8 mm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.84 -53.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -112.35 160.28 17.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -43.4 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.539 HG23 ' N ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -167.91 168.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.539 ' N ' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -89.43 132.22 37.9 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.03 3.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 m -102.11 -19.37 15.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' CG ' ' A' ' 37' ' ' ASN . . . -75.27 -54.91 6.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HG ' HD12 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -46.12 -40.12 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.881 ' H ' HD13 ' A' ' 11' ' ' LEU . 5.3 mt-30 -62.92 -35.2 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 5.8 m-20 -72.41 -32.32 66.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD23 ' HG ' ' B' ' 319' ' ' LEU . 19.1 tp -64.12 -67.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.8 33.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.3 ttm180 -74.95 -24.95 58.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.4 m -74.53 -51.22 15.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.848 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.75 -31.26 6.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 1.6 mptp? -53.07 -33.27 51.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.626 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.5 -174.82 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.626 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.95 -37.0 2.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.632 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 88.84 84.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.621 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.67 -62.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -97.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.1 tt0 -60.55 -50.71 72.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.676 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tm0? -31.18 -61.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -41.72 -49.75 4.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 2.0 mt-30 -72.87 -26.0 61.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.6 mm100 -69.94 -51.3 33.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.66 -52.24 63.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.07 -35.05 77.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.4 m-20 -58.07 -66.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -59.01 -58.25 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -41.41 -30.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 33' ' ' ILE . 12.0 mttm -84.28 -46.53 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.459 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -75.43 -0.17 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' CG ' ' CB ' ' A' ' 10' ' ' ALA . 12.6 m-80 -159.69 109.9 1.47 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -45.08 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.851 HD21 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -55.93 -49.88 72.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.497 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 14.5 ttt -56.76 -41.92 78.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.23 -46.53 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -61.88 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.839 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.2 t80 -53.79 -57.55 10.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.601 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -46.85 -39.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.596 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 3.5 mmpt? -66.48 -34.66 78.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 tm0? -68.57 -45.16 72.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.681 HH21 ' HB ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -64.29 -40.61 96.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.262 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.648 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.5 t -74.0 -22.48 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.36 -12.36 13.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HG2' HD11 ' B' ' 340' ' ' ILE . 10.9 tppt? -87.17 -24.47 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.922 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.31 -52.9 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.54 -30.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.65 -53.29 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -66.09 -40.76 91.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.34 95.82 32.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.7 14.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.1 44.45 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.434 HG23 ' N ' ' B' ' 305' ' ' THR . 5.2 t -63.83 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.721 ' O ' HG23 ' B' ' 305' ' ' THR . 1.1 t -176.31 34.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.744 HG11 ' O ' ' B' ' 314' ' ' ALA . 12.1 m -118.69 -37.58 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -35.37 114.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 117.42 -27.97 7.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.824 ' HE ' ' HZ3' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -111.82 -63.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.548 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 4.7 t30 60.02 147.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.637 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.1 m-20 151.87 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.692 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.6 tt0 -39.94 -55.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.934 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -60.78 -33.97 73.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.934 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -71.19 -29.98 65.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.886 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.6 mm? -65.9 -61.02 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 312' ' ' GLU . 0.3 OUTLIER -63.36 -26.72 68.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.63 ' HA ' HG12 ' B' ' 320' ' ' VAL . 4.7 mm-40 -71.44 -32.06 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -70.94 -51.3 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.969 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -65.13 -51.46 61.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.969 ' N ' HD13 ' B' ' 319' ' ' LEU . 3.4 p -59.15 -37.07 66.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 2.1 m -57.92 -51.13 70.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -30.95 71.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.848 HD21 ' HG ' ' A' ' 18' ' ' LEU . 11.1 mt -61.78 -46.42 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.73 -46.52 64.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.14 50.56 1.68 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.464 ' HZ2' HD21 ' B' ' 343' ' ' LEU . 0.8 OUTLIER -41.66 118.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.32 -31.16 43.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -46.43 -35.98 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.663 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.3 m -50.4 -29.0 9.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -57.47 -56.04 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -30.17 25.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.747 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.67 49.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.763 ' HG3' HD22 ' B' ' 334' ' ' LEU . 9.7 pt-20 -55.07 -21.54 12.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -82.29 -39.38 23.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.747 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.5 m-20 -78.76 -17.05 56.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.663 ' HG2' HG23 ' B' ' 329' ' ' THR . 2.0 mtt180 -38.24 -30.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.2 -62.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.679 HD12 ' HD2' ' A' ' 51' ' ' LYS . 1.5 mm? -99.32 -15.9 18.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.7 -48.47 3.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.861 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.2 pp -113.98 15.48 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.469 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.6 OUTLIER -53.68 -21.91 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.782 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -73.38 -14.56 61.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.802 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mm? -89.16 -45.92 9.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.2 p -74.47 -3.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.53 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.8 tt0 -28.57 -44.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' B' ' 351' ' ' VAL . . . 139.67 -165.33 25.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.409 1.068 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 85.11 -140.2 18.26 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -73.3 81.14 0.71 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 0.3 OUTLIER 172.46 -33.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 0.5 OUTLIER 81.83 163.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.363 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.865 HG11 HD23 ' B' ' 361' ' ' LEU . 0.7 OUTLIER -133.45 -173.08 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.922 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.36 53.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.475 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.1 t 39.06 -151.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.949 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER 61.75 122.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.686 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.4 mt 39.9 45.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.686 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.0 m -12.23 109.53 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.732 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 -0.88 10.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.79 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -120.53 -78.18 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.539 ' C ' HG21 ' B' ' 356' ' ' VAL . . . -171.69 -37.41 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.442 ' C ' HD12 ' B' ' 361' ' ' LEU . 16.3 p -163.06 88.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.865 HD23 HG11 ' B' ' 351' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.87 -56.14 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 61.85 134.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.6 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.71 HD11 ' CB ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -178.36 142.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.2 m -71.9 141.12 84.04 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.96 7.78 2.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -102.04 -19.25 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -74.92 -54.19 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.915 HD13 ' H ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -47.52 -40.45 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.915 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.53 -34.81 79.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 10' ' ' ALA . 78.6 m-20 -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -62.52 -69.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.31 -32.57 56.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 24.5 ttt-85 -70.79 -26.49 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.721 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.8 m -75.01 -48.3 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.859 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.9 mm? -51.31 -21.93 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' SER . 35.3 mmtt -60.23 -36.84 78.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.564 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.86 -177.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -32.22 5.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.526 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 85.99 84.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.612 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.04 -100.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.541 ' O ' ' N ' ' A' ' 28' ' ' GLN . 14.7 mt-30 -61.4 -52.83 62.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.658 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.38 -60.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -41.27 -49.4 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -73.62 -28.04 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.721 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.4 mm-40 -68.46 -52.53 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -57.43 -53.85 38.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.04 -37.09 83.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 9.6 m-20 -56.57 -67.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -55.66 -55.12 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -43.42 -29.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.8 mtmt -86.72 -36.37 18.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.4 t -83.82 0.16 48.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.71 ' CB ' HD11 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -160.62 109.01 1.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -46.81 -31.63 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -75.58 -48.05 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -50.33 -46.2 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.11 -40.66 70.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.63 -61.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HD2' HD12 ' A' ' 14' ' ' LEU . 3.5 t80 -54.94 -55.28 32.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.7 -42.26 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -61.22 -39.94 92.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' CD ' HG13 ' B' ' 320' ' ' VAL . 1.0 OUTLIER -67.44 -44.68 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -61.64 -47.82 83.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.5 t -72.74 -20.87 61.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.451 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.88 -8.96 8.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.684 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -91.88 -26.15 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -106.72 -51.0 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.09 -31.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -72.2 -50.0 30.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.2 m-20 -70.41 -51.6 28.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.1 pt20 -112.52 95.27 31.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.59 21.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.33 -77.0 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.412 ' CB ' ' HG2' ' B' ' 318' ' ' GLN . 7.0 t -151.41 -176.19 5.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.71 ' O ' HG13 ' B' ' 306' ' ' VAL . 1.1 t -150.08 22.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.71 HG13 ' O ' ' B' ' 305' ' ' THR . 8.6 m -160.63 -117.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.538 ' HG2' HD13 ' B' ' 315' ' ' LEU . 2.7 mt-10 67.96 137.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 35.92 29.31 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -132.9 -43.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.896 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -92.32 -50.14 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.38 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 7.9 m-20 150.41 -173.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' B' ' 315' ' ' LEU . 13.9 tt0 -47.12 -52.5 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.617 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -49.58 -32.83 13.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.896 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -69.15 -35.36 76.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.25 -60.03 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.764 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -62.32 -32.92 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 36.6 mm-40 -67.94 -30.5 69.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.441 ' C ' ' NE2' ' B' ' 318' ' ' GLN . 2.0 tm0? -67.39 -48.7 66.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.88 HD13 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -74.54 -33.73 62.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.824 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -65.29 -55.22 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 2.2 t -57.56 -46.18 84.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.71 -30.59 70.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.859 HD21 ' CD1' ' A' ' 18' ' ' LEU . 6.6 mt -67.61 -45.76 74.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -46.78 62.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.19 45.49 2.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.679 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 3.2 tppp? -40.97 108.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -71.11 -32.94 69.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 4.2 tp10 -50.7 -29.48 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.876 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.4 m -50.46 -26.72 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.16 -61.86 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -50.23 71.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.669 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -80.03 53.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.0 -22.64 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -51.04 11.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.669 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.2 OUTLIER -64.94 -16.9 63.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.876 ' HA ' HG23 ' B' ' 329' ' ' THR . 61.2 ttt180 -44.97 -25.58 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -42.06 -62.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.684 HD23 ' CG ' ' A' ' 51' ' ' LYS . 10.6 mp -92.67 -21.16 20.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.22 -7.71 50.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.815 ' HB ' HD12 ' B' ' 343' ' ' LEU . 1.8 pp -146.36 16.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.5 OUTLIER -53.49 -23.63 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.474 ' HG3' ' CB ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -73.38 -22.07 60.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.815 HD12 ' HB ' ' B' ' 340' ' ' ILE . 94.2 mt -81.93 -45.5 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.678 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.1 p -75.96 -2.57 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.518 ' C ' ' O ' ' B' ' 344' ' ' VAL . 5.8 tt0 -29.45 -46.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 149.6 84.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.77 89.46 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -124.07 41.22 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.32 21.4 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.08 136.66 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.727 HG23 ' N ' ' B' ' 352' ' ' LEU . 4.6 m -135.27 -142.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.727 ' N ' HG23 ' B' ' 351' ' ' VAL . 0.0 OUTLIER -123.97 43.91 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.46 ' C ' ' O ' ' B' ' 352' ' ' LEU . 7.6 t 34.5 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER 50.97 99.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.52 95.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.587 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -55.12 108.25 1.11 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.678 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.03 2.62 6.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.872 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -125.78 -63.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.527 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 165.97 -38.02 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.556 ' C ' HD22 ' B' ' 361' ' ' LEU . 44.9 t -154.9 81.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.872 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -173.44 97.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 58.12 95.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p -88.33 -56.67 3.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 179.1 140.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 9' ' ' SER . 60.2 m -52.12 128.51 39.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.681 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 13.08 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 7' ' ' SER . 48.8 m -102.32 -9.56 20.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -85.61 -63.96 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.877 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -40.94 -33.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.587 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.6 pt20 -70.83 -44.56 66.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' ALA . 92.0 m-20 -69.94 -29.61 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 44' ' ' PHE . 6.2 tt -63.5 -69.04 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.941 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -55.92 -29.46 60.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.0 ttm-85 -74.46 -24.84 59.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -78.56 -45.75 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.425 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.096 HD22 HD21 ' B' ' 323' ' ' LEU . 2.6 mt -49.55 -25.68 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -58.85 -23.79 61.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.642 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -60.04 -173.99 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.642 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.95 -35.84 2.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.5 p 88.0 84.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.5 OUTLIER 161.67 -63.02 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.029 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.05 -95.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -60.11 -52.78 63.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.646 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -29.9 -62.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -41.92 -49.85 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -72.83 -26.71 61.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.352 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.547 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.6 mt-30 -71.04 -54.68 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.942 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -57.18 -51.95 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.537 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.45 -33.79 74.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 2.7 m-20 -60.03 -68.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.65 -52.02 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.942 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.08 -30.85 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -85.74 -36.86 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.42 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -78.75 -4.84 51.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.7 ' HB2' HD22 ' A' ' 40' ' ' LEU . 12.7 m-80 -162.15 111.39 1.14 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -45.76 -33.22 2.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -69.49 -46.21 67.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.444 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.35 -35.06 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.32 -43.81 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.65 -61.05 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.78 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.3 t80 -53.42 -56.67 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.85 -37.96 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -66.41 -42.56 87.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.858 ' CD ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.51 -19.69 59.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.5 ttt180 -88.6 -29.47 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.591 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 13.5 t -95.29 -13.3 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.95 -11.44 8.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.7 OUTLIER -90.38 -24.54 20.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -106.53 -49.2 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -47.17 -32.45 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -61.61 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.1 m-20 -57.55 -49.99 74.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.22 82.82 14.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.82 24.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.92 -58.94 3.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 111.01 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.702 ' O ' HG22 ' B' ' 304' ' ' THR . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.702 HG22 ' O ' ' B' ' 303' ' ' PRO . 0.6 OUTLIER 83.17 157.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.43 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.764 HG22 ' O ' ' B' ' 305' ' ' THR . 2.0 m -145.22 43.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.737 ' CG2' ' HB1' ' B' ' 314' ' ' ALA . 8.2 m -152.27 29.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -12.12 60.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -106.06 21.57 33.36 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -146.45 -60.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.539 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 10.7 t-20 61.11 138.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.22 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.6 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.5 m-20 152.88 163.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 2.9 tt0 -40.81 -56.1 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.933 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -59.07 -31.83 69.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.933 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -74.64 -32.63 62.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.57 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.22 -62.06 2.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.979 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -60.08 -49.88 75.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.482 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 5.0 mm-40 -43.23 -40.58 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.249 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -68.69 -42.54 77.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.02 -57.48 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.979 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.2 OUTLIER -55.19 -44.52 75.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -56.71 -40.53 75.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.724 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -75.1 -32.07 61.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 1.096 HD21 HD22 ' A' ' 18' ' ' LEU . 6.7 mt -61.18 -46.61 89.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.42 -54.37 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.78 47.92 3.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.57 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 1.5 tppp? -40.86 119.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.71 -37.89 55.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.5 ' HB3' ' HZ3' ' B' ' 342' ' ' LYS . 0.8 OUTLIER -45.83 -25.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.526 HG23 ' HA ' ' B' ' 336' ' ' ARG . 4.0 m -50.69 -26.27 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -64.41 -71.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.8 -50.51 72.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' B' ' 335' ' ' ASP . . . -80.86 51.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -51.11 -22.63 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.826 HD22 ' C ' ' B' ' 334' ' ' LEU . 0.0 OUTLIER -76.89 -28.78 55.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.826 ' N ' HD22 ' B' ' 334' ' ' LEU . 4.0 m-20 -81.15 -18.17 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.526 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -43.21 -32.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.546 ' CB ' HD22 ' B' ' 355' ' ' LEU . . . -41.73 -60.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' B' ' 355' ' ' LEU . 0.3 OUTLIER -103.06 -12.19 17.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.6 -55.27 2.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.749 HD11 ' HG2' ' A' ' 51' ' ' LYS . 1.7 pp -101.6 12.42 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.9 OUTLIER -55.3 -18.59 6.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.5 ' HZ3' ' HB3' ' B' ' 328' ' ' GLU . 0.0 OUTLIER -78.09 -8.77 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.653 HD12 ' HB ' ' B' ' 340' ' ' ILE . 2.6 mt -94.92 -45.42 7.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CB ' ' B' ' 357' ' ' PRO . 1.4 p -69.17 -7.55 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.484 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.9 tt0 -32.17 -38.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 158.57 -174.81 35.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 70.21 145.76 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 69.59 95.87 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 0.0 OUTLIER 72.62 -77.16 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.27 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 2.2 m-20 157.55 175.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.818 HG11 HD23 ' B' ' 361' ' ' LEU . 1.0 OUTLIER -94.45 168.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.803 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.31 65.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.448 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.7 m 35.88 -141.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.5 OUTLIER 69.36 -169.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -38.93 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' B' ' 354' ' ' LYS . 3.7 m -38.63 99.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.801 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.97 2.98 6.01 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.577 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.45 -49.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 162.64 -43.72 0.35 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.444 ' C ' HD12 ' B' ' 361' ' ' LEU . 38.5 p -156.8 90.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.818 HD23 HG11 ' B' ' 351' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.56 98.69 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -145.73 163.38 35.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -89.14 -59.19 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -169.07 155.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.468 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.0 m -57.69 132.38 82.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.879 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.07 -17.63 19.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -88.3 -32.22 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -58.29 -55.98 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.993 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -40.13 -46.41 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 21.9 mt-30 -58.9 -42.9 90.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 10' ' ' ALA . 68.5 m-20 -62.58 -29.75 70.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 44' ' ' PHE . 27.7 tp -65.83 -61.84 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.034 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -58.34 -33.74 69.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 14.2 ttt180 -76.92 -21.73 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.5 m -76.37 -45.6 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.408 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' HE1' ' A' ' 44' ' ' PHE . 3.9 mm? -62.29 -16.28 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' SER . 6.2 mmtp -70.36 -33.1 71.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.566 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.41 -178.75 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.97 -31.93 5.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.52 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 86.86 84.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.605 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.84 -60.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -101.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.7 mt-30 -61.86 -52.31 64.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -30.78 -61.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.549 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -42.05 -49.82 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.549 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.5 mt-30 -72.87 -28.07 62.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.756 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.2 mt-30 -67.1 -52.13 45.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.76 -51.84 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.05 -33.09 74.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 15.8 m-20 -64.69 -67.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -53.54 -46.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -56.96 -28.21 62.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -89.68 -50.12 6.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 -4.14 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 1.084 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -157.71 105.99 1.79 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB2' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.29 -26.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.084 HD12 ' CB ' ' A' ' 37' ' ' ASN . 34.4 mt -76.7 -55.1 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 45' ' ' ILE . 12.6 ttt -47.52 -43.23 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.06 -45.6 79.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -54.48 13.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.778 ' CD2' HD21 ' A' ' 34' ' ' LEU . 26.6 t80 -58.58 -56.85 16.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.58 -39.91 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mmpt? -61.67 -44.7 96.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.772 ' OE1' HG13 ' B' ' 320' ' ' VAL . 36.5 tp60 -77.45 -19.29 56.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -83.45 -31.08 26.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 53' ' ' VAL . 2.7 t -101.18 -11.1 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -54.61 -15.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.64 -27.98 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.735 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -101.88 -53.93 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.655 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.39 -26.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -69.05 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -61.47 -39.04 89.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -127.17 80.31 71.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' CA ' ' O ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.99 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.56 -43.88 0.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.649 HG23 ' N ' ' B' ' 305' ' ' THR . 0.6 OUTLIER 49.89 -173.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.649 ' N ' HG23 ' B' ' 304' ' ' THR . 4.8 p -149.95 -179.36 7.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.459 HG22 ' C ' ' B' ' 305' ' ' THR . 25.9 m 43.63 39.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -88.79 -16.07 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -98.94 15.57 60.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -137.25 -56.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.336 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.6 t30 61.13 141.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.737 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 6.6 m-20 151.34 166.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' HD23 ' B' ' 316' ' ' LEU . 3.0 tt0 -38.85 -60.79 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.784 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.41 -33.03 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.784 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -69.34 -33.57 73.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -64.14 -61.36 2.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.964 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.57 -32.36 68.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 -34.53 78.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -69.22 -37.57 78.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.949 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -79.04 -35.12 43.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.964 HG23 ' O ' ' B' ' 316' ' ' LEU . 94.1 t -69.02 -44.87 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.8 t -67.42 -43.91 80.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.595 ' CD2' HD23 ' A' ' 15' ' ' LEU . 2.2 t80 -59.52 -40.36 86.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' B' ' 323' ' ' LEU . 8.5 mt -66.01 -47.98 72.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.69 -39.68 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -106.01 49.19 0.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.517 ' HB2' ' CG2' ' B' ' 340' ' ' ILE . 1.8 tppp? -40.11 131.53 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -86.86 -30.61 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -48.64 -22.49 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.72 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.06 -31.5 13.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -65.41 -41.08 93.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.83 -49.48 8.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.716 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.07 50.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.844 ' HG3' HD22 ' B' ' 334' ' ' LEU . 10.2 pt-20 -51.4 -22.72 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.844 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.0 mm? -79.23 -53.5 6.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' B' ' 337' ' ' ALA . 13.5 m-20 -69.34 -14.11 62.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.72 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.6 -29.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -34.43 -62.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.463 HD23 ' CE ' ' A' ' 51' ' ' LYS . 10.4 mp -93.66 -24.16 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 82.75 -19.16 12.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.762 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.5 pp -140.83 16.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.63 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -64.33 -9.85 20.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.716 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -90.96 -10.94 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.88 ' O ' HD12 ' B' ' 343' ' ' LEU . 0.2 OUTLIER -97.88 -16.63 19.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 351' ' ' VAL . 0.6 OUTLIER -97.95 -7.35 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.511 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 8.0 pt20 -33.54 -36.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 161.8 137.92 2.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -153.04 30.62 0.8 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' B' ' 349' ' ' LEU . . . 95.04 57.71 1.21 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' B' ' 348' ' ' GLY . 2.1 mt 58.82 113.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.0 t0 172.57 -36.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.867 HG23 ' H ' ' B' ' 353' ' ' SER . 1.0 OUTLIER -41.43 146.77 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.692 HD22 ' N ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -59.4 -12.31 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.867 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.12 -60.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.0 OUTLIER -39.16 137.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 62.43 -165.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.64 HG12 HD23 ' B' ' 361' ' ' LEU . 1.1 m -135.23 96.77 13.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.505 ' CB ' ' O ' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.04 1.27 7.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.808 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -128.61 -75.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 172.88 78.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.8 t 92.81 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.808 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.2 mm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 3' ' ' ASN . 0.9 OUTLIER 70.14 -62.4 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.52 154.34 22.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -70.93 -71.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -156.0 156.96 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.608 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.39 129.91 80.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.995 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.907 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -12.15 21.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.0 m -81.12 -32.4 33.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -57.27 -62.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.907 HD21 ' HA ' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -40.21 -52.58 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.62 -42.41 74.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' ALA . 90.2 m-20 -67.02 -29.4 69.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.962 HD22 HD11 ' A' ' 40' ' ' LEU . 12.8 tp -63.93 -70.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -31.34 29.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 20.3 ttm180 -75.35 -23.57 57.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.726 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.8 m -76.15 -49.5 17.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.083 . . . . 0.0 110.34 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.717 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mm? -51.23 -22.15 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.6 mptp? -60.62 -35.21 75.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.572 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.37 -178.12 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.572 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -75.0 -25.13 12.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.564 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 5.2 m 77.98 84.08 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.058 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.615 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 163.86 -61.76 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -102.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.6 tt0 -59.99 -48.88 79.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.665 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.6 tm0? -33.2 -58.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -43.07 -49.74 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.1 mt-30 -72.53 -25.32 61.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.726 ' CB ' HG23 ' A' ' 17' ' ' THR . 11.3 mt-30 -69.28 -50.54 45.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -61.76 -51.81 68.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.88 -33.69 74.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -60.21 -69.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.92 -51.23 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -50.06 -29.34 8.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.0 mtmm -90.04 -43.76 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.426 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -73.04 -3.49 26.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.613 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.8 m-80 -160.72 107.04 1.31 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.3 tp60 -51.14 -17.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.962 HD11 HD22 ' A' ' 14' ' ' LEU . 2.8 tm? -79.7 -51.42 9.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -52.98 -26.42 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -49.38 -43.57 44.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.4 -61.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.95 ' HB2' HD21 ' A' ' 14' ' ' LEU . 8.0 t80 -57.15 -57.7 11.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -41.23 -50.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.39 -40.69 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' HG3' HD12 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -64.91 -35.64 81.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -73.58 -43.99 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 2.4 t -76.12 -18.66 59.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.07 -10.71 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -94.74 -26.95 16.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 1.08 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -102.52 -49.96 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.21 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.33 -58.98 4.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.52 -49.98 60.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -117.09 82.9 14.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 155.29 42.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 59' ' ' MET . . . 155.68 -53.98 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.471 ' C ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.569 HG23 ' N ' ' B' ' 305' ' ' THR . 6.1 t -92.6 -158.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.71 ' O ' HG23 ' B' ' 305' ' ' THR . 1.3 t -176.34 35.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.927 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 28.5 m -134.79 10.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -62.96 -25.5 68.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -106.45 -3.23 37.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.528 ' NE ' ' NZ ' ' B' ' 313' ' ' LYS . 0.1 OUTLIER -115.77 -70.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 110.346 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 11.1 t-20 62.75 133.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.628 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER 155.01 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 15.9 tt0 -34.71 -59.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.816 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -57.37 -42.89 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.927 ' HB1' ' HB ' ' B' ' 306' ' ' VAL . . . -60.64 -39.81 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.74 HD23 HD22 ' A' ' 11' ' ' LEU . 11.1 mp -55.49 -44.03 76.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.871 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.8 OUTLIER -75.14 -33.87 61.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 3.5 mt-10 -64.25 -28.73 69.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.77 -51.2 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.2 -47.96 63.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 316' ' ' LEU . 89.8 t -54.94 -53.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.8 m -51.91 -51.31 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.84 -30.63 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.7 mt -67.46 -37.38 82.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -52.99 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.63 50.78 4.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.505 ' HA ' ' NZ ' ' B' ' 326' ' ' LYS . 0.7 OUTLIER -43.26 124.91 3.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 0.747 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.47 -38.0 74.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.73 -31.95 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.4 -30.24 11.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -59.33 -50.26 74.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 17.9 tp -77.96 -49.13 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.756 ' HB1' ' HZ1' ' B' ' 342' ' ' LYS . . . -81.01 49.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.653 ' HG3' HD12 ' B' ' 334' ' ' LEU . 18.2 pt-20 -53.27 -22.74 7.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' B' ' 333' ' ' GLU . 8.6 mp -76.48 -52.02 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.833 ' HB2' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -71.29 -14.4 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' B' ' 337' ' ' ALA . 7.0 ttm180 -38.23 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.148 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -36.09 -61.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' B' ' 341' ' ' ASP . 2.2 mm? -79.87 -30.74 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.58 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 69.24 8.36 58.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.743 ' O ' HG12 ' B' ' 344' ' ' VAL . 2.7 pp -155.93 21.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -68.15 -2.01 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.833 ' HZ1' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -89.31 -41.1 12.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.604 HD21 ' HB ' ' B' ' 340' ' ' ILE . 2.2 pp -72.53 -11.12 60.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.743 HG12 ' O ' ' B' ' 340' ' ' ILE . 1.6 p -116.36 -4.51 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' B' ' 358' ' ' ARG . 0.8 OUTLIER -31.71 -48.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' B' ' 351' ' ' VAL . . . 94.18 81.95 1.54 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -80.82 51.27 4.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 142.68 -59.71 0.54 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 172.12 86.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.91 34.21 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.729 HG23 ' N ' ' B' ' 352' ' ' LEU . 0.6 OUTLIER -130.11 -170.2 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 1.08 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -127.64 45.71 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.546 ' N ' HG23 ' B' ' 351' ' ' VAL . 2.0 t 29.16 51.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.864 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.3 OUTLIER -94.76 103.49 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.457 ' C ' HG22 ' B' ' 356' ' ' VAL . 1.4 mm? 43.37 31.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 355' ' ' LEU . 6.5 m 43.09 94.84 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.43 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.97 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.789 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.771 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.1 ttp85 -120.19 -67.41 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.556 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 149.41 67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 89.68 76.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.771 HD11 ' CB ' ' B' ' 358' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -139.4 155.88 47.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 69.51 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -155.96 -150.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.546 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -167.05 161.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.447 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -72.3 131.43 84.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.668 ' O ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 6.96 3.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -101.35 -9.39 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.08 -61.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.821 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -46.29 -30.44 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.4 mt-30 -70.98 -38.66 72.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ALA . 3.0 m-20 -76.87 -29.5 55.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.978 HD12 HD11 ' A' ' 40' ' ' LEU . 5.2 tt -62.7 -59.21 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 319' ' ' LEU . 0.2 OUTLIER -62.35 -35.94 80.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 11.2 ttt-85 -71.99 -18.79 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.3 m -77.62 -49.69 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.1 mm? -48.66 -26.51 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -56.09 -37.5 69.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.574 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.2 -178.21 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.91 -32.3 5.64 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.54 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.6 m 85.86 82.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.602 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 164.31 -60.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -74.99 -102.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 tt0 -60.78 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.616 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.4 tm0? -32.43 -59.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.566 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.6 pt20 -41.73 -50.16 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.566 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.16 -26.25 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.7 mt-30 -67.66 -51.33 51.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.906 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.2 m -60.08 -50.8 78.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -63.03 -37.34 86.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.554 ' O ' ' N ' ' A' ' 36' ' ' SER . 3.7 m-20 -54.53 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.24 -47.53 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.906 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -52.39 -33.93 45.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -92.53 -26.23 18.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.554 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.3 t -86.83 -2.39 58.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 33' ' ' ILE . 14.2 m-80 -162.62 111.49 1.08 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.02 -66.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 1.7 tt0 -45.62 -32.07 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.978 HD11 HD12 ' A' ' 14' ' ' LEU . 3.1 tm? -74.33 -41.9 60.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.526 ' O ' ' N ' ' A' ' 45' ' ' ILE . 8.2 ttt -58.21 -36.08 72.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.58 -38.34 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.0 -61.05 2.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.846 ' HB2' HD11 ' A' ' 14' ' ' LEU . 3.6 t80 -60.7 -55.93 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -40.71 -49.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -63.68 -42.99 97.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' NE2' HG13 ' B' ' 320' ' ' VAL . 20.2 mm-40 -54.31 -45.33 72.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.881 ' NH1' HD22 ' B' ' 343' ' ' LEU . 1.9 mmp_? -72.53 -45.5 59.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.594 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -59.7 -28.5 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 53' ' ' VAL . . . -60.13 -12.34 8.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.035 ' HZ3' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -88.65 -33.14 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.923 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -96.71 -25.21 15.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.4 -28.95 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.69 -15.63 62.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 30.9 m-20 -110.4 -44.75 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 52' ' ' TYR . 7.2 pt20 -124.49 91.59 49.27 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 129.78 12.64 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -131.24 75.27 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.017 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 4.8 t -77.66 -34.85 52.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 40.37 56.27 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.382 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.462 ' O ' HG13 ' B' ' 306' ' ' VAL . 8.8 p -175.09 43.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.37 0.59 57.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -116.29 4.59 19.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.1 OUTLIER -118.26 -69.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.0 t-20 61.35 131.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.779 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.1 t70 151.87 166.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.568 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 7.4 tt0 -37.34 -60.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.905 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -58.74 -34.07 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.905 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -70.93 -30.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.687 HD23 ' HG ' ' A' ' 11' ' ' LEU . 11.0 mp -66.19 -62.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.958 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.83 -31.86 68.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 28.4 mm-40 -64.8 -37.7 88.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -65.19 -45.06 86.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -71.09 -39.8 71.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.958 HG23 ' O ' ' B' ' 316' ' ' LEU . 53.8 t -59.16 -52.17 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -42.96 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.516 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.4 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.719 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.3 mt -72.63 -35.8 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -46.15 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.24 50.16 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.583 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.2 OUTLIER -42.6 113.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -38.32 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' B' ' 328' ' ' GLU . 0.1 OUTLIER -46.29 -36.14 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -50.78 -31.3 16.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.386 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -55.01 -66.46 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.77 -52.55 64.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.591 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . . . -80.37 52.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.46 -22.56 3.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 -52.32 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.557 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 4.7 m-20 -62.42 -14.77 44.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' B' ' 329' ' ' THR . 0.1 OUTLIER -42.4 -26.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.73 ' C ' HD23 ' B' ' 338' ' ' LEU . . . -44.45 -43.97 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 1.035 HD13 ' HZ3' ' A' ' 51' ' ' LYS . 1.6 mt -110.17 -19.68 12.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 73.24 -53.96 1.86 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.742 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -105.75 20.06 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 0.722 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.703 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -58.56 -11.61 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.591 ' HZ2' ' HB3' ' B' ' 332' ' ' ALA . 3.3 mppt? -87.86 -25.84 23.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.881 HD22 ' NH1' ' A' ' 48' ' ' ARG . 1.1 mp -83.56 -41.49 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.812 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.1 p -75.06 -10.61 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.515 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.3 OUTLIER -29.02 -46.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 154.63 -150.64 22.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 139.93 -12.02 3.11 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -174.3 -90.79 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.33 109.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 16.8 t0 176.02 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.663 HG11 ' O ' ' B' ' 344' ' ' VAL . 28.3 m -50.92 163.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.923 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -72.7 89.11 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.713 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.9 p -43.42 -33.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.94 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.4 OUTLIER -49.12 -82.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.2 OUTLIER -69.48 60.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.713 HG13 ' O ' ' B' ' 353' ' ' SER . 7.6 m -38.38 98.62 0.17 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.812 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 2.45 6.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.562 1.822 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.705 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.97 -46.35 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.636 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 165.14 -62.37 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.441 ' N ' HD22 ' B' ' 361' ' ' LEU . 1.7 t -134.37 -50.51 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 179.02 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.19 -46.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -126.94 -72.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.941 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.559 HD12 HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 177.13 170.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.5 m -89.77 132.93 35.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 1.084 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.02 2.65 6.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.1 p -103.13 -11.2 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -77.18 -56.53 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.084 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -44.23 -26.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.712 ' H ' HD22 ' A' ' 11' ' ' LEU . 20.9 mt-30 -73.71 -40.14 63.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' ALA . 10.6 m-20 -76.55 -29.67 56.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.93 -64.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.04 -33.48 67.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 9.6 ttm-85 -73.82 -28.3 61.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.841 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.9 m -66.92 -41.3 87.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.759 HD11 ' CE2' ' A' ' 44' ' ' PHE . 3.4 mm? -61.63 -22.02 64.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.359 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 5.3 mmtt -60.76 -37.96 83.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.55 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.55 -178.82 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.548 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 m 86.38 83.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.591 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.64 -61.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -102.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.65 -49.07 79.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.0 tm0? -33.26 -59.13 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.555 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 5.0 pt20 -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.555 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 tt0 -72.47 -26.7 61.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.841 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.5 mt-30 -71.06 -53.92 12.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -55.91 -50.29 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.78 -31.57 72.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' O ' ' N ' ' A' ' 36' ' ' SER . 5.1 m-20 -61.43 -58.18 9.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -68.69 -43.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -56.82 -32.33 65.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.6 ptpt -92.07 -31.0 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASN . 51.9 m -86.15 -1.18 57.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.696 ' HB3' HD23 ' A' ' 40' ' ' LEU . 20.3 m-80 -163.24 113.42 1.03 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.7 tp60 -47.59 -32.94 5.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.696 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.2 mm? -68.8 -54.74 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.0 tmm? -52.62 -39.98 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -48.91 -45.79 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' B' ' 316' ' ' LEU . . . -68.14 -61.83 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.759 ' CE2' HD11 ' A' ' 18' ' ' LEU . 4.5 t80 -53.14 -56.57 15.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -47.54 -43.42 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -59.63 -40.68 88.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tm0? -67.41 -45.05 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.0 mtm180 -60.39 -52.5 64.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.4 t -68.02 -24.18 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.385 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.11 -9.45 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.7 tptt -92.25 -27.47 17.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.856 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -104.37 -50.8 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.51 -35.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.8 -59.05 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 65.5 m-20 -62.07 -47.65 83.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.8 99.74 50.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.7 42.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -109.65 74.49 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.871 HG21 ' OE1' ' B' ' 318' ' ' GLN . 9.1 t -66.32 -136.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.428 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.62 ' N ' HG23 ' B' ' 304' ' ' THR . 0.2 OUTLIER -146.47 161.41 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.497 HG23 ' N ' ' B' ' 307' ' ' GLU . 29.4 m 42.07 -140.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.497 ' N ' HG23 ' B' ' 306' ' ' VAL . 0.0 OUTLIER 71.72 152.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 35.28 35.62 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -148.18 -50.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.507 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 2.1 m-80 -86.79 -79.11 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 17.1 t70 -174.64 -179.1 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.851 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.1 tt0 -41.94 -53.23 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -48.78 -33.23 9.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -71.89 -35.35 69.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -59.21 -61.52 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.949 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -58.41 -37.67 75.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.592 ' HA ' HG22 ' B' ' 320' ' ' VAL . 14.4 mm-40 -57.12 -33.4 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.871 ' OE1' HG21 ' B' ' 304' ' ' THR . 0.2 OUTLIER -71.69 -46.15 59.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.759 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.2 OUTLIER -71.76 -56.34 5.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.949 HG13 ' O ' ' B' ' 316' ' ' LEU . 3.7 m -50.44 -39.84 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 2.5 m -60.29 -54.5 44.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -31.67 72.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.557 ' CD2' ' NZ ' ' B' ' 326' ' ' LYS . 3.0 mt -70.14 -37.75 75.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.66 -51.93 58.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.59 53.4 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.557 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -41.21 118.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -39.68 68.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.432 ' HB3' ' HZ2' ' B' ' 342' ' ' LYS . 2.5 tp10 -47.78 -24.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.605 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.9 m -51.45 -37.59 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.04 -49.63 76.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 tt -69.52 -50.87 41.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.83 52.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 14.7 pt-20 -51.68 -22.36 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 13.7 mt -82.84 -35.74 26.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.628 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 1.8 m-20 -78.56 -14.61 59.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.605 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.37 -31.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -38.0 -63.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.916 HD22 ' OD1' ' B' ' 341' ' ' ASP . 8.3 mp -93.55 -23.17 18.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.583 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 75.86 -6.69 32.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.6 pp -155.58 22.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.916 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -49.7 -30.55 9.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.3 OUTLIER -61.58 -29.26 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.462 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 2.9 mp -79.4 -25.56 42.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.856 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -88.51 -6.36 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.469 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 8.8 tt0 -36.57 -31.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 177.04 -132.74 2.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 153.36 -83.67 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.05 -71.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -59.06 3.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.767 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 170.03 -176.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.873 HG23 ' H ' ' B' ' 353' ' ' SER . 18.4 m -96.71 -161.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -100.85 -8.37 22.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.873 ' H ' HG23 ' B' ' 351' ' ' VAL . 0.3 OUTLIER 84.04 -56.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.954 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' B' ' 353' ' ' SER . 1.5 ttmt -40.65 109.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 66.21 79.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 361' ' ' LEU . 5.7 m -39.86 101.18 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.43 6.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.727 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.5 OUTLIER -116.71 -34.34 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 133.64 -53.14 0.8 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.555 ' C ' HD22 ' B' ' 361' ' ' LEU . 22.7 t -150.56 93.49 1.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 0.793 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.797 ' N ' HD22 ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 60.64 159.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 60.63 150.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m 47.32 -168.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.553 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -152.72 158.61 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.553 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -68.51 148.14 98.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.667 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -65.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -34.86 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 8' ' ' PRO . . . -60.97 -58.47 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.076 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -53.64 -32.73 52.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' N ' HD22 ' A' ' 11' ' ' LEU . 4.9 mt-30 -74.47 -31.06 62.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -74.25 -32.36 62.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' B' ' 319' ' ' LEU . 1.1 tp -68.21 -60.39 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -52.64 -38.34 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 11.6 ttm180 -76.45 -23.2 53.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.818 HG22 ' NE2' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -73.2 -37.91 66.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.87 HD22 HD21 ' B' ' 323' ' ' LEU . 3.3 mt -63.73 -25.3 68.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' HD21 ' A' ' 15' ' ' LEU . 3.9 mptp? -59.0 -24.89 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.649 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -58.51 -173.75 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.04 -36.54 2.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.582 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 89.42 74.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 171.7 -62.33 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.983 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.03 -95.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.57 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -57.36 -52.39 65.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.818 ' NE2' HG22 ' A' ' 17' ' ' THR . 36.1 tp60 -28.48 -62.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.544 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.1 pt20 -42.46 -49.74 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -72.66 -27.18 61.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.64 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -72.3 -54.5 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.858 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.3 m -55.7 -49.83 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -65.93 -32.1 73.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' SER . 1.9 m-20 -59.42 -59.08 6.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -68.71 -44.38 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.58 -31.93 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -93.38 -28.23 16.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASN . 50.9 m -89.25 1.2 56.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 33' ' ' ILE . 18.1 m-80 -163.16 111.89 1.03 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.1 Cg_endo -75.04 -68.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.507 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 43.0 tp60 -45.88 -27.46 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD11 ' CD2' ' A' ' 14' ' ' LEU . 3.3 tm? -74.91 -53.68 8.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -54.21 -26.98 31.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -60.81 -40.5 92.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.45 -56.25 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.722 ' CZ ' HD23 ' B' ' 343' ' ' LEU . 2.7 t80 -58.94 -57.54 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.545 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -47.13 -35.35 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.681 ' HA ' HG22 ' A' ' 49' ' ' THR . 1.5 mmmt -75.65 -32.66 60.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.5 tp60 -72.62 -46.96 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.601 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -68.61 -37.33 79.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.8 t -77.43 -20.21 54.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.22 -10.58 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -88.62 -29.31 20.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 1.014 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -102.84 -53.66 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.437 ' O ' ' CA ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -41.16 -27.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.14 -69.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.512 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 10.6 p30 -60.65 -38.94 86.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.512 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -126.85 80.07 71.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' CA ' ' O ' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.01 169.16 23.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.44 59.9 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.976 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.789 ' O ' HG22 ' B' ' 306' ' ' VAL . 9.9 t -174.64 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.529 ' O ' HG13 ' B' ' 306' ' ' VAL . 0.8 OUTLIER 39.67 39.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 110.397 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.902 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 21.9 m -156.25 25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -34.53 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -89.69 1.06 80.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.614 ' NH1' ' HZ1' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -123.66 -64.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 9.4 t30 63.03 150.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.692 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.0 m-20 150.38 159.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.603 ' O ' HD23 ' B' ' 316' ' ' LEU . 74.5 tt0 -37.83 -54.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.906 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -63.96 -36.5 84.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.906 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -67.47 -29.01 68.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.651 HD23 HD12 ' A' ' 11' ' ' LEU . 10.9 mp -66.93 -61.78 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.773 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -62.19 -31.63 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.7 mm-40 -68.48 -35.13 77.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.487 ' HB2' HG21 ' B' ' 306' ' ' VAL . 16.3 tt0 -64.13 -50.96 66.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.769 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.74 -34.48 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 316' ' ' LEU . 4.9 t -61.45 -55.0 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -43.29 79.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.722 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -64.33 -32.68 74.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.87 HD21 HD22 ' A' ' 18' ' ' LEU . 5.5 mt -68.11 -45.23 74.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -41.56 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.48 45.36 1.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 0.9 OUTLIER -41.68 124.2 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 13.5 m-20 -76.8 -33.67 58.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -48.61 -29.56 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -32.42 17.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.377 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.5 OUTLIER -67.5 -33.97 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -53.87 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.29 53.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.735 ' HG3' HD22 ' B' ' 334' ' ' LEU . 16.2 pt-20 -47.54 -23.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -74.82 -49.34 21.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.61 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -66.2 -14.38 61.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' B' ' 335' ' ' ASP . 5.8 tmm_? -35.9 -31.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -50.16 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' B' ' 341' ' ' ASP . 0.9 OUTLIER -86.65 -29.71 22.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.593 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.46 -0.13 43.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.593 HG23 ' O ' ' B' ' 339' ' ' GLY . 2.5 pp -156.08 22.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.667 ' HB2' HD23 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -52.1 -20.4 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.517 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 2.4 mptt -73.68 -25.79 60.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.722 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 2.0 mp -88.12 -14.82 37.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 1.014 HG13 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -95.32 -4.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' B' ' 345' ' ' GLN . 4.2 pm0 -39.2 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' B' ' 344' ' ' VAL . . . -172.64 -80.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 86.29 -120.63 5.48 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -63.13 -52.02 50.69 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 177.67 129.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.4 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.405 HG11 ' HG2' ' B' ' 357' ' ' PRO . 6.3 m -138.21 174.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.75 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -120.15 -5.47 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.455 ' N ' HD22 ' B' ' 352' ' ' LEU . 14.8 t -50.31 -179.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.055 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.08 -31.87 10.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.59 ' O ' HG13 ' B' ' 356' ' ' VAL . 2.7 mt -110.02 -99.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.59 HG13 ' O ' ' B' ' 355' ' ' LEU . 2.2 m -156.71 108.26 1.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.483 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -74.98 2.9 6.11 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.794 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.8 OUTLIER -121.19 -51.32 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 154.9 -47.28 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.505 ' C ' HD22 ' B' ' 361' ' ' LEU . 85.2 p -155.09 86.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.798 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.21 171.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.5 mmt-85 -42.8 151.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -41.55 -58.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -174.15 159.25 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 9' ' ' SER . 6.1 m -75.49 129.19 82.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.881 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 10.78 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 7' ' ' SER . 15.4 m -102.26 -10.75 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -80.96 -60.22 2.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.961 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.63 -32.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.746 ' H ' HD22 ' A' ' 11' ' ' LEU . 26.3 mt-30 -73.88 -41.09 62.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' ALA . 40.7 m-20 -69.63 -28.06 65.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD12 ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -65.9 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -50.04 -39.86 43.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.5 ttm105 -70.01 -28.98 65.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -72.55 -40.8 66.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.949 HD22 HD21 ' B' ' 323' ' ' LEU . 3.5 mt -63.87 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 11.1 mmtt -52.96 -22.97 6.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.691 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 p -60.3 -171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.691 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -74.98 -35.16 3.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.639 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.4 m 85.2 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.631 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.44 -62.22 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.047 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -96.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' GLN . 25.7 mt-30 -60.98 -52.13 66.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.688 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.0 tm0? -29.21 -62.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -40.64 -50.65 3.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -73.16 -28.65 62.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.735 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mt-30 -67.71 -54.01 22.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.953 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -57.58 -53.91 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -59.54 -35.57 74.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.8 m-20 -60.2 -69.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -53.57 -60.85 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.05 -29.6 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.7 mttm -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 33' ' ' ILE . 34.9 m -72.28 -8.09 52.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.693 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 11.2 m-80 -158.98 96.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.03 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 34.7 tt0 -45.26 -23.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 HD13 ' A' ' 14' ' ' LEU . 3.4 tm? -83.96 -45.5 13.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -49.91 -24.33 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -52.45 -38.7 59.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.89 -61.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 1.4 t80 -57.53 -56.72 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.21 -46.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 5.6 mmmt -63.7 -38.74 92.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -62.42 -49.98 73.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.527 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -66.12 -35.47 80.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.633 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -76.48 -18.25 58.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.387 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . -63.63 -9.13 12.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.684 ' HG2' HD11 ' B' ' 340' ' ' ILE . 13.6 tptt -92.43 -23.04 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.887 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -109.06 -51.18 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.493 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.03 -32.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -73.44 -62.81 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 7.6 m-20 -54.48 -46.81 73.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 94.41 30.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.79 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.16 77.16 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.688 ' O ' HG23 ' B' ' 305' ' ' THR . 9.0 t 39.31 -160.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.688 HG23 ' O ' ' B' ' 304' ' ' THR . 2.2 p -159.63 157.38 29.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.605 HG12 ' O ' ' B' ' 306' ' ' VAL . 98.0 t 67.29 12.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.493 ' HG3' ' CG2' ' B' ' 304' ' ' THR . 0.0 OUTLIER -44.38 147.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 85.71 -25.7 6.41 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.546 ' HB3' HG12 ' B' ' 306' ' ' VAL . 0.0 OUTLIER -103.54 -56.92 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.594 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 5.4 t-20 56.69 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.766 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.0 m-20 148.99 162.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.606 ' O ' HD23 ' B' ' 316' ' ' LEU . 1.2 tt0 -36.89 -57.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.649 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.99 -36.85 82.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.766 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -65.68 -35.5 80.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.592 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.1 -62.03 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.978 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -58.38 -42.9 88.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 25.4 mm-40 -46.38 -41.7 13.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.59 -35.93 68.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.58 -47.01 57.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.978 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -65.52 -37.79 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 30.8 t -66.54 -46.25 76.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -31.14 72.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.949 HD21 HD22 ' A' ' 18' ' ' LEU . 10.6 mt -68.42 -45.63 72.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -46.98 64.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -99.23 52.33 1.08 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.478 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.8 tppp? -41.57 107.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -28.3 66.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.26 -25.38 47.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.62 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.7 m -56.69 -38.75 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.84 -47.42 84.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.69 -48.28 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.83 54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.868 ' HG3' HD12 ' B' ' 334' ' ' LEU . 12.1 pt-20 -46.45 -23.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.868 HD12 ' HG3' ' B' ' 333' ' ' GLU . 11.1 mp -77.47 -45.43 25.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.612 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.4 OUTLIER -70.73 -16.63 62.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.62 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.4 tmm_? -42.24 -27.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -47.12 -61.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' B' ' 341' ' ' ASP . 5.4 mp -95.14 -23.3 17.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.44 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 82.15 -17.44 17.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.093 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.684 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -152.55 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.709 ' HB2' HD13 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -47.9 -35.54 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -60.69 -29.5 69.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -80.35 -35.4 35.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.887 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -75.96 -3.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' B' ' 358' ' ' ARG . 9.7 pt20 -42.56 -30.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 171.42 -103.26 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 82.6 50.16 4.84 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 115.37 22.66 4.74 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 5.8 tp 58.32 82.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 9.1 t0 177.89 104.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.492 HG12 ' O ' ' B' ' 344' ' ' VAL . 5.9 m -132.1 144.83 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.729 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -110.35 -8.61 14.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.453 ' N ' HD22 ' B' ' 352' ' ' LEU . 15.5 t -45.55 171.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -99.66 -31.6 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.99 -108.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.511 HG12 HD23 ' B' ' 361' ' ' LEU . 12.0 m -147.07 103.67 3.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.491 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.2 Cg_endo -74.98 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.845 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.78 -70.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.638 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 153.83 71.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 2.0 t 86.2 80.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.845 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -130.44 174.65 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -40.27 9.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -77.2 -111.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.66 HG21 ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 176.77 151.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.512 ' H ' HD13 ' A' ' 6' ' ' ILE . 28.2 m -61.13 151.58 74.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.98 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.584 ' C ' ' O ' ' A' ' 8' ' ' PRO . 51.0 m -22.38 -51.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -43.81 -64.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.075 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.38 -34.75 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.581 ' N ' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -70.57 -28.8 65.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' ALA . 70.8 m-20 -75.19 -32.52 61.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.5 tm? -67.14 -60.53 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.96 -34.45 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 29.8 ttt180 -75.3 -25.11 57.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.793 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.2 m -71.56 -36.56 70.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.415 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.736 ' CD1' HD21 ' B' ' 323' ' ' LEU . 1.7 mm? -66.6 -31.14 71.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 20' ' ' SER . 28.7 mmtt -52.34 -33.31 42.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -51.35 -175.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.98 -37.45 2.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.3 p 90.48 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.636 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 159.75 -62.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -60.68 -51.46 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.669 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.8 tm0? -30.77 -61.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.3 pt20 -43.13 -49.93 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 3.4 mt-30 -72.31 -25.37 61.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.793 ' CB ' HG23 ' A' ' 17' ' ' THR . 5.9 mt-30 -69.61 -51.17 37.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.669 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.85 -52.06 66.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.41 -32.13 73.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.9 m-20 -58.97 -60.35 4.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.42 -59.8 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -38.32 -34.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.3 mttm -61.77 -53.71 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' ILE . 58.4 m -101.76 21.39 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 m-80 -121.92 89.47 48.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.05 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.434 1.755 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.529 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.8 tp60 -81.04 -15.29 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.66 ' HG ' HG21 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -78.9 -54.69 5.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 24.4 ptt? -57.04 -28.09 62.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.39 -44.82 45.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.623 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.5 -60.85 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.755 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.1 t80 -54.51 -56.71 16.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -46.96 -36.78 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.3 mmpt? -73.23 -32.73 64.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' PHE . 2.2 mm-40 -71.76 -48.0 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.8 ptt180 -67.28 -43.37 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.657 HG22 ' HA ' ' A' ' 46' ' ' LYS . 4.8 t -71.77 -26.33 62.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.54 -11.53 11.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.699 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -88.09 -27.44 21.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.668 ' CD1' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.42 -52.54 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.09 -36.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.9 -65.83 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.546 HD21 ' NZ ' ' A' ' 51' ' ' LYS . 25.3 m-20 -57.52 -47.87 80.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 pp0? -113.11 94.4 30.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.57 11.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 177.21 75.27 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.829 0 N-CA-C 110.956 -0.44 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.29 162.26 12.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.669 ' C ' HG12 ' B' ' 306' ' ' VAL . 9.0 t -150.78 118.49 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.39 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.722 HG23 ' HB1' ' B' ' 314' ' ' ALA . 0.2 OUTLIER 170.56 -32.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -10.47 5.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -104.45 -0.46 43.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.549 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -139.0 -63.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.617 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 37.6 t30 64.73 127.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.617 ' CB ' ' O ' ' B' ' 310' ' ' ASN . 0.1 OUTLIER 146.4 160.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 4.4 tt0 -32.82 -59.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -56.7 -46.13 81.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.722 ' HB1' HG23 ' B' ' 306' ' ' VAL . . . -54.84 -41.16 70.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.9 mm? -57.81 -43.32 85.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.763 ' O ' HG23 ' B' ' 320' ' ' VAL . 2.4 mt -71.7 -32.36 67.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' B' ' 321' ' ' SER . 4.1 mt-10 -63.59 -32.88 74.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.433 ' HB2' HG11 ' B' ' 306' ' ' VAL . 0.7 OUTLIER -73.99 -50.06 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.806 HD12 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -69.38 -56.78 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 316' ' ' LEU . 71.4 t -48.94 -54.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -50.42 -54.18 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -60.94 -30.79 70.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 18' ' ' LEU . 5.1 mt -65.43 -48.01 74.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.74 -54.36 34.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.955 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -83.3 48.55 4.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.624 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.6 tppp? -44.42 130.71 6.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.99 -35.96 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.518 ' C ' ' HZ1' ' B' ' 342' ' ' LYS . 0.5 OUTLIER -61.21 -15.0 29.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.558 HG23 ' HA ' ' B' ' 336' ' ' ARG . 21.8 m -67.71 -32.46 73.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.05 -56.71 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 3.0 tp -63.67 -50.8 67.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.92 52.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -47.83 -22.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' B' ' 332' ' ' ALA . 31.3 mt -77.57 -51.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.547 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 71.9 m-20 -63.82 -16.59 61.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.558 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.4 OUTLIER -44.02 -30.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . . . . . . . . . . . -45.52 -48.0 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 1.026 HD12 ' OD2' ' B' ' 341' ' ' ASP . 13.4 mt -106.75 -13.8 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 72.7 -55.8 1.69 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.804 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -101.29 18.11 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 1.026 ' OD2' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.84 -19.2 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.614 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -83.27 -12.45 56.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.804 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.3 mm? -94.61 -15.11 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.535 ' HB ' ' CB ' ' B' ' 357' ' ' PRO . 2.2 t -100.14 -12.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.439 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 15.3 tt0 -36.94 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 142.04 145.11 4.45 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -145.36 -44.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -145.68 46.47 0.77 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.97 83.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 170.23 81.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 351' ' ' VAL . 13.7 m -134.52 88.29 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.668 ' CD2' ' CD1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER 28.83 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.5 m 152.0 -45.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -56.96 -82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.494 ' HB3' HD11 ' B' ' 338' ' ' LEU . 24.6 mt -68.92 63.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.782 HG21 ' O ' ' B' ' 359' ' ' GLY . 3.8 m -39.61 99.92 0.2 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.535 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.4 Cg_endo -74.98 -3.94 14.67 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.13 -33.93 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.782 ' O ' HG21 ' B' ' 356' ' ' VAL . . . 148.84 -68.72 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.434 ' C ' HD22 ' B' ' 361' ' ' LEU . 94.8 p -122.43 -61.47 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.2 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 60.02 102.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -148.94 -173.9 4.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p -67.6 -154.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -156.85 152.22 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.692 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.5 m -60.83 153.9 61.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.969 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' GLN . 4.2 m -33.28 -38.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 40' ' ' LEU . . . -44.1 -32.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.969 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.65 -43.58 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.598 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.25 -40.42 71.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' A' ' 40' ' ' LEU . 4.4 tt -67.08 -60.65 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -51.53 -33.0 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttt180 -76.01 -32.94 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.7 m -56.75 -39.84 74.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.727 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -63.0 -29.73 71.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 13.3 mmtp -53.01 -34.0 54.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.636 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -52.26 -174.63 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.014 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.636 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.02 -36.76 2.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.621 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.94 82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.647 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.37 -63.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.94 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.1 mt-30 -59.84 -52.17 66.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.675 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -29.95 -61.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.318 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -42.22 -49.78 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.54 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.876 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.4 mt-30 -69.83 -53.04 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -59.29 -51.63 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -61.59 -33.63 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.43 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 2.1 m-20 -57.83 -64.5 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.694 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -63.23 -59.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.506 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -40.5 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 33' ' ' ILE . 9.2 mttm -74.8 -54.44 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 68.8 m -95.11 18.88 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.969 ' HB3' HD12 ' A' ' 40' ' ' LEU . 20.8 m120 -151.16 92.77 3.73 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -55.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -51.74 -42.58 62.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.969 HD12 ' HB3' ' A' ' 37' ' ' ASN . 19.4 mt -63.19 -55.47 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 45' ' ' ILE . 11.1 ttt -50.43 -41.75 53.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -53.52 -46.9 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.53 -55.62 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.724 ' CE2' HD21 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -56.0 -59.58 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -44.58 -50.81 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -63.26 -36.17 82.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.506 ' HB3' HD13 ' B' ' 323' ' ' LEU . 0.4 OUTLIER -61.17 -43.31 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.125 HH21 HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.17 -51.42 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.675 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.2 t -66.07 -15.63 63.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -64.0 -7.63 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' HD22 ' B' ' 338' ' ' LEU . 1.3 tppm? -94.0 -24.98 17.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.904 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.82 -50.21 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.57 -38.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.363 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.78 68.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 m-20 -68.38 -52.96 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -112.51 95.73 33.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.9 28.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.81 -50.55 1.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.527 ' HA ' ' CG ' ' B' ' 318' ' ' GLN . 2.4 t -159.79 145.11 15.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 1.6 t -119.95 -33.95 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.706 HG23 ' O ' ' B' ' 306' ' ' VAL . 15.1 m -139.08 90.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' B' ' 309' ' ' ARG . 0.7 OUTLIER -114.96 -136.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.484 ' N ' ' CG ' ' B' ' 307' ' ' GLU . . . -32.67 -33.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -44.94 -43.47 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 0.768 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.709 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 1.4 m-80 -111.62 -167.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.74 174.77 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.874 ' HA ' HD22 ' B' ' 315' ' ' LEU . 23.3 tt0 -46.72 -37.27 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.41 -30.92 31.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.709 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -76.62 -32.57 58.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.7 OUTLIER -57.84 -60.26 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.87 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.51 -50.47 67.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 15.3 mm-40 -43.06 -37.83 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.527 ' CG ' ' HA ' ' B' ' 304' ' ' THR . 5.6 tm0? -72.01 -45.72 59.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -67.44 -51.82 46.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.87 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.4 m -56.96 -40.82 74.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.7 m -59.12 -49.45 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.679 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -68.42 -32.31 72.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.727 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.9 mt -66.61 -47.37 72.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -54.29 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.46 56.09 2.74 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -41.84 124.36 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.29 -38.27 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -51.97 -20.89 2.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.746 HG23 ' HA ' ' B' ' 336' ' ' ARG . 2.6 m -53.36 -31.55 45.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.73 -60.35 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -51.46 69.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.66 53.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -45.83 -23.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -80.74 -52.25 7.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.568 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 2.2 m-20 -63.74 -15.43 58.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.746 ' HA ' HG23 ' B' ' 329' ' ' THR . 1.1 ttt180 -43.99 -26.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.36 -62.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.718 HD22 ' HD2' ' A' ' 51' ' ' LYS . 90.3 mt -95.22 -19.76 19.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.53 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 78.09 -6.44 49.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.038 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 1.125 HD13 HH21 ' A' ' 48' ' ' ARG . 2.3 pp -154.36 22.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.471 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 4.0 t70 -62.2 -12.74 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.94 -7.42 59.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.78 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.3 mm? -98.73 -41.43 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.676 ' O ' HG11 ' B' ' 351' ' ' VAL . 1.8 p -74.87 -3.33 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.513 ' HB2' ' CB ' ' B' ' 358' ' ' ARG . 4.5 pt20 -44.83 -46.4 10.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' B' ' 345' ' ' GLN . . . 122.18 170.32 13.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -157.84 23.76 0.41 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 117.28 93.76 1.72 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 50.0 96.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.594 ' O ' HG22 ' B' ' 351' ' ' VAL . 4.0 t0 174.16 -158.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.676 HG11 ' O ' ' B' ' 344' ' ' VAL . 22.4 m 47.57 -169.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.904 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -122.21 6.82 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 7.1 m 44.55 60.55 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.863 ' HB2' HD23 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -99.84 112.4 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.404 ' C ' HG22 ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.69 32.57 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.404 HG22 ' C ' ' B' ' 355' ' ' LEU . 11.7 m 40.31 80.74 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.665 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.06 6.74 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.489 1.784 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.72 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -130.3 -42.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.266 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 147.24 -45.92 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.603 ' C ' HD22 ' B' ' 361' ' ' LEU . 31.7 t -152.93 86.26 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.812 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.57 163.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -70.33 104.75 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m 54.98 -88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.751 HG21 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 179.31 150.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -55.34 129.74 68.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.767 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -10.11 21.0 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.76 -32.83 31.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -57.35 -59.26 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD13 HD12 ' B' ' 315' ' ' LEU . 0.5 OUTLIER -41.01 -47.34 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.41 -42.42 91.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -63.99 -36.83 85.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' B' ' 319' ' ' LEU . 0.5 OUTLIER -59.91 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.8 -31.34 26.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 13.6 ttm180 -75.63 -20.98 58.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.626 HG23 ' CB ' ' A' ' 29' ' ' GLN . 2.4 m -79.27 -44.66 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' CD1' HD21 ' B' ' 323' ' ' LEU . 3.4 mm? -52.38 -20.52 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 4.0 mttt -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.82 -176.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.07 -33.46 4.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.55 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.82 86.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.624 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.08 -62.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.624 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.0 -95.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' A' ' 28' ' ' GLN . 10.0 mt-30 -62.74 -57.53 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.641 ' O ' HG13 ' A' ' 30' ' ' VAL . 13.8 tt0 -28.44 -62.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -39.85 -51.24 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -73.26 -28.19 62.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.626 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mt-30 -67.91 -53.7 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.4 m -56.87 -53.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.47 -32.07 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 7.9 m-20 -62.55 -64.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -59.96 -46.1 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -55.33 -28.87 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -84.89 -50.51 7.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -5.48 34.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.738 ' HB3' HD23 ' A' ' 40' ' ' LEU . 23.3 m-80 -152.18 105.44 2.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.542 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.98 -26.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.751 HD22 HG21 ' A' ' 6' ' ' ILE . 1.2 mm? -78.34 -47.73 17.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.562 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.9 ttt -49.88 -47.6 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -50.14 -44.86 52.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -66.48 -62.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE1' ' HD3' ' A' ' 48' ' ' ARG . 10.6 t80 -54.35 -58.27 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.3 OUTLIER -45.14 -41.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 7.1 mmmt -62.85 -38.49 91.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -68.34 -44.17 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.997 ' HD3' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -66.24 -37.47 85.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -74.74 -22.07 59.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.74 -11.85 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.77 ' HG2' HD11 ' B' ' 340' ' ' ILE . 57.5 tptt -89.22 -23.73 22.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CG ' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -108.41 -53.33 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.95 -33.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.29 -55.72 16.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 m-20 -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -114.38 91.26 23.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.97 42.32 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.68 81.43 1.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.501 ' O ' ' N ' ' B' ' 306' ' ' VAL . 5.9 t -172.52 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.438 ' N ' HG23 ' B' ' 304' ' ' THR . 18.5 m 65.39 -68.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' B' ' 304' ' ' THR . 17.2 t -71.13 60.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -96.37 -48.48 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -66.95 -12.71 60.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.436 ' HB3' ' CG1' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -100.52 -57.96 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 45.6 t30 59.63 154.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.681 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 150.07 157.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 13.5 tt0 -35.37 -53.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -64.24 -42.57 96.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.681 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -57.43 -38.08 73.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 1.033 HD12 HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -59.51 -51.35 70.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.975 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.7 OUTLIER -66.18 -42.35 89.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 51.7 mm-40 -59.21 -28.29 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.53 -50.79 33.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.863 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -78.22 -23.82 47.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 316' ' ' LEU . 55.3 t -72.56 -53.75 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 8.6 t -61.8 -40.26 94.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.666 ' CE1' ' NZ ' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -64.93 -35.68 81.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.793 HD13 ' NH1' ' A' ' 48' ' ' ARG . 6.0 mt -69.26 -39.49 78.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -54.73 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.974 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.53 51.05 4.12 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.713 ' HZ1' HD23 ' B' ' 323' ' ' LEU . 3.0 tppt? -41.29 123.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.36 -40.14 64.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -46.5 -31.83 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.583 HG23 ' HG2' ' B' ' 336' ' ' ARG . 3.2 m -51.06 -30.01 14.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.2 -61.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.82 -48.91 77.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.874 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.68 51.94 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 16.2 pt-20 -51.82 -22.01 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 -31.8 33.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.874 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.74 -17.1 57.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.583 ' HG2' HG23 ' B' ' 329' ' ' THR . 1.2 mtm180 -35.49 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -40.04 -63.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.52 ' HB2' ' CB ' ' B' ' 341' ' ' ASP . 2.8 mm? -99.46 -21.8 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 76.6 -51.66 3.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.784 HG21 ' NH2' ' A' ' 48' ' ' ARG . 2.3 pp -113.48 23.0 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.557 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -54.04 -32.9 55.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 1.107 ' N ' ' HZ2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.69 -26.91 67.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.997 HD22 ' HD3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -76.61 -48.74 18.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' B' ' 341' ' ' ASP . 2.1 p -71.45 -3.47 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' B' ' 344' ' ' VAL . 41.7 tt0 -33.6 -34.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 158.69 70.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -111.09 142.58 16.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 92.62 -56.72 2.66 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 7.2 tt -172.53 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -159.18 170.45 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -103.81 178.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.62 54.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.457 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 34.96 -147.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' B' ' 353' ' ' SER . 1.5 mtmm 54.97 105.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 356' ' ' VAL . 2.1 mm? 60.83 62.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.1 m -31.38 102.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.52 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -75.03 4.86 4.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.792 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.656 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.2 -42.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 124.07 87.62 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.8 OUTLIER 90.52 -72.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.002 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' B' ' 358' ' ' ARG . 2.7 mm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.465 ' ND2' ' H ' ' A' ' 3' ' ' ASN . 2.2 p30 -90.56 103.38 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -144.56 146.56 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -62.83 -87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.794 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER 178.74 141.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.434 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -53.72 143.16 40.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -63.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' GLN . 81.6 p -38.69 -38.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.91 -29.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.93 HD13 ' HG ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -64.3 -46.54 83.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.41 -32.95 73.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.67 -39.86 76.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -65.08 -66.93 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -50.67 -31.14 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -77.18 -26.69 53.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.816 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -70.96 -36.46 72.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.9 mm? -69.04 -27.52 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 9.7 mmtp -53.19 -37.73 62.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.587 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.42 -177.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.94 -35.76 3.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.2 m 91.56 83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.603 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.98 -60.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.603 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -95.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 28' ' ' GLN . 36.6 mt-30 -63.0 -54.81 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.8 tt0 -29.93 -60.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.547 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.6 pt20 -40.51 -49.89 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.547 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -74.55 -27.99 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.341 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.816 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.8 mt-30 -69.15 -52.63 26.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -56.85 -52.73 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -64.37 -32.66 74.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 4.0 m-20 -59.13 -54.89 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -76.07 -43.54 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -55.67 -30.17 60.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -90.81 -32.79 15.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.2 m -89.87 4.26 50.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.606 ' N ' ' O ' ' A' ' 33' ' ' ILE . 25.2 m-80 -158.77 109.43 1.61 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -59.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.575 ' CB ' HG13 ' A' ' 6' ' ' ILE . 1.8 tt0 -47.31 -23.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.794 ' CD2' HG21 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -84.14 -42.59 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.5 ttt -50.4 -55.59 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.63 -33.88 64.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -68.86 -61.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.804 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.8 t80 -60.92 -55.21 35.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.583 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -41.73 -51.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -62.51 -38.05 88.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.809 ' OE1' HG13 ' B' ' 320' ' ' VAL . 10.7 tp60 -63.07 -32.62 74.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.042 HH21 HD13 ' B' ' 323' ' ' LEU . 4.4 mmp_? -77.64 -45.4 25.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.686 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.8 t -70.98 -15.08 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.68 -11.14 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.2 tppt? -93.5 -25.85 17.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.696 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -103.78 -48.5 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.49 -39.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.26 66.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 2.8 m-20 -64.16 -52.12 60.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -114.61 92.23 28.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.88 9.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -153.9 77.1 0.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.652 HG23 ' N ' ' B' ' 305' ' ' THR . 1.2 t -156.47 -165.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.652 ' N ' HG23 ' B' ' 304' ' ' THR . 3.4 p -154.98 166.93 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' B' ' 314' ' ' ALA . 63.0 t 68.83 6.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -45.19 143.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 84.92 -23.36 7.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.518 ' HB3' HG12 ' B' ' 306' ' ' VAL . 0.0 OUTLIER -99.28 -56.03 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.536 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 0.7 OUTLIER 55.41 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.783 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.7 OUTLIER 152.59 160.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.608 ' O ' HD23 ' B' ' 316' ' ' LEU . 2.6 tt0 -36.79 -53.65 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.563 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.2 OUTLIER -66.06 -36.54 83.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.783 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -64.55 -33.96 77.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 11' ' ' LEU . 10.3 mp -65.76 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.789 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -59.95 -29.53 68.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 4.6 mm-40 -68.74 -33.83 74.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -46.18 78.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.854 HD13 ' C ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -75.46 -35.27 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.843 ' N ' HD13 ' B' ' 319' ' ' LEU . 23.1 t -64.06 -54.69 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.2 t -57.26 -45.72 83.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.047 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.522 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -61.54 -32.3 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 1.042 HD13 HH21 ' A' ' 48' ' ' ARG . 4.0 mt -72.27 -34.93 68.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.36 -54.36 47.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.9 56.29 2.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.499 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.9 OUTLIER -49.76 120.5 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.79 -36.01 62.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -46.55 -29.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.564 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.6 m -55.25 -31.44 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.394 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.51 -61.14 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.14 -42.45 98.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.801 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -81.36 48.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.62 ' HG3' HD22 ' B' ' 334' ' ' LEU . 6.8 pt-20 -52.47 -25.94 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' B' ' 333' ' ' GLU . 3.8 mm? -83.08 -50.41 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.801 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 12.9 t70 -68.7 -13.1 62.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.564 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.1 OUTLIER -37.66 -29.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -35.6 -52.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -110.41 -15.98 13.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 67.99 -56.67 0.39 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.887 ' HB ' HD13 ' B' ' 343' ' ' LEU . 1.7 pp -101.76 19.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.512 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 15.7 t70 -54.21 -15.85 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.677 ' HZ1' ' HB2' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -84.65 -25.27 28.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.887 HD13 ' HB ' ' B' ' 340' ' ' ILE . 5.4 mp -80.41 -32.66 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' B' ' 357' ' ' PRO . 2.9 p -87.75 -4.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' B' ' 358' ' ' ARG . 1.3 tt0 -32.41 -45.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 158.81 117.13 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -126.9 -54.0 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 169.16 100.68 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 42.64 85.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.6 89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.937 HG22 ' H ' ' B' ' 353' ' ' SER . 2.5 p -179.51 134.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.726 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -61.08 -11.76 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.937 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.7 OUTLIER 57.54 -154.55 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 0.0 110.048 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.42 -76.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.625 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.5 mt -77.41 57.23 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.647 ' O ' ' CG2' ' B' ' 356' ' ' VAL . 1.5 m -19.5 99.67 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.566 ' HB2' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 8.57 2.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.772 ' HB3' HD21 ' B' ' 361' ' ' LEU . 1.4 tmt_? -131.74 -72.22 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.587 ' N ' HG23 ' B' ' 356' ' ' VAL . . . 179.48 -37.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 40.3 t -160.37 80.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.788 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -117.43 90.65 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -153.7 146.58 24.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -69.75 -65.0 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.515 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -162.31 149.8 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' SER . 19.3 m -66.94 132.48 93.86 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.03 13.19 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 7' ' ' SER . 16.4 m -100.37 -11.84 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -81.93 -63.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.911 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.17 -34.97 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' H ' HD22 ' A' ' 11' ' ' LEU . 64.9 mt-30 -67.79 -40.56 83.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.0 m-20 -72.5 -27.81 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CD2' ' A' ' 44' ' ' PHE . 13.7 tp -60.89 -64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -58.09 -37.5 74.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 ttt85 -66.37 -27.46 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.628 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.841 HD13 ' CE1' ' B' ' 322' ' ' PHE . 4.1 mt -47.74 -29.37 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -27.1 24.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.689 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -57.92 -171.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.689 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.04 -36.09 2.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.616 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.78 81.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.635 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 164.35 -62.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -75.01 -93.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.6 mm-40 -59.77 -52.25 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.695 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -29.09 -62.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.6 pt20 -40.76 -49.49 3.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -74.17 -29.99 62.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.628 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -69.13 -52.94 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -58.55 -53.29 48.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -61.49 -38.06 85.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.5 m-20 -53.26 -65.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -62.64 -49.99 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.73 HD12 ' NH2' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -47.25 -32.7 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.576 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.72 -25.93 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.475 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -85.19 -3.01 58.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.6 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 16.3 m-80 -164.13 112.49 0.93 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.515 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.0 tp-100 -45.28 -34.9 3.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD11 HD22 ' A' ' 14' ' ' LEU . 1.8 tm? -69.61 -47.16 64.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.652 ' HA ' HD22 ' A' ' 34' ' ' LEU . 1.1 ttt -55.51 -35.91 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.594 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.06 -36.28 17.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.92 -60.61 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.882 ' CD2' HD11 ' A' ' 14' ' ' LEU . 11.6 t80 -55.69 -54.79 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.769 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.43 -42.44 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -60.96 -40.88 95.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG2' HG23 ' B' ' 320' ' ' VAL . 9.4 mm-40 -68.88 -42.85 76.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.73 ' NH2' HD12 ' A' ' 34' ' ' LEU . 9.0 mtm180 -62.91 -50.92 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.667 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 6.6 t -72.23 -19.99 61.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -61.38 -9.97 6.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.682 ' HE3' HD13 ' B' ' 338' ' ' LEU . 21.2 tptp -96.01 -24.57 16.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.777 ' CD1' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -104.79 -43.91 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -55.33 -25.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.24 13.2 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER 179.86 50.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm100 -124.53 111.15 27.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.09 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.22 -57.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.78 ' O ' HG22 ' B' ' 305' ' ' THR . 9.9 t -118.31 -55.54 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.78 HG22 ' O ' ' B' ' 304' ' ' THR . 14.7 t 51.69 35.43 15.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.085 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.789 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 9.8 m -144.76 -42.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -28.89 140.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 93.63 -31.04 6.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.564 ' CZ ' ' NZ ' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -106.72 -58.42 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 16.0 t30 60.07 153.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.611 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 4.7 m-20 152.65 157.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -38.92 -50.7 1.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.846 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.26 -36.62 84.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.846 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.98 -32.9 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.53 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -64.93 -60.99 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.428 ' O ' HG12 ' B' ' 320' ' ' VAL . 1.9 pp -61.88 -30.59 70.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.555 ' HA ' HG12 ' B' ' 320' ' ' VAL . 7.7 mm-40 -68.52 -29.28 67.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 17.4 tt0 -75.56 -45.8 35.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.984 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -66.66 -49.16 67.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.984 ' N ' HD13 ' B' ' 319' ' ' LEU . 9.9 p -57.98 -48.26 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.449 ' N ' HG13 ' B' ' 320' ' ' VAL . 42.2 t -60.27 -45.32 93.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.841 ' CE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -63.98 -30.91 71.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.779 HD21 ' CD2' ' A' ' 18' ' ' LEU . 9.4 mt -64.85 -47.85 76.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -39.63 57.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -107.88 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -41.22 136.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.259 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -33.68 16.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -47.08 -24.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 62.5 m -54.29 -28.06 39.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -63.73 -71.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -48.9 63.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.06 53.07 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.759 ' HB2' HH21 ' B' ' 336' ' ' ARG . 16.2 pt-20 -50.41 -22.11 1.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.55 -33.55 31.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.881 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -77.36 -13.83 59.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.759 HH21 ' HB2' ' B' ' 333' ' ' GLU . 12.9 mtm180 -36.09 -31.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -43.69 -62.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.682 HD13 ' HE3' ' A' ' 51' ' ' LYS . 30.3 mt -103.81 -21.35 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.422 ' C ' ' OD2' ' B' ' 335' ' ' ASP . . . 69.27 -51.45 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.737 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.9 pp -101.11 20.51 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.638 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -67.1 -2.16 5.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.645 ' N ' ' HD2' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -90.08 -50.41 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.852 HD12 ' N ' ' B' ' 344' ' ' VAL . 1.4 pp -59.81 -24.35 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.852 ' N ' HD12 ' B' ' 343' ' ' LEU . 2.5 p -94.33 -12.91 8.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.498 ' C ' ' O ' ' B' ' 344' ' ' VAL . 20.4 tt0 -30.84 -40.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 140.52 96.0 0.29 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -82.65 -45.6 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -131.73 48.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.3 mp 40.82 86.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 6.7 m-20 155.41 93.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.48 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -153.0 106.68 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.777 HD22 ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER 39.99 -103.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.645 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.4 t 147.19 -53.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 356' ' ' VAL . 0.0 OUTLIER -39.33 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -69.05 64.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.631 HG13 ' O ' ' B' ' 353' ' ' SER . 1.1 m -38.26 98.59 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.622 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.02 4.29 4.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.674 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -121.69 -49.92 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 125.51 73.24 0.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 84.92 79.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.958 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.674 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -83.77 163.51 20.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.53 159.46 41.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.07 -154.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.541 HG21 ' HB2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -158.95 152.71 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.494 ' H ' HD13 ' A' ' 6' ' ' ILE . 1.5 t -66.76 153.51 93.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 8' ' ' PRO . 7.1 p -31.87 -35.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -59.47 -56.2 24.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.97 -31.66 13.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.577 ' N ' HD22 ' A' ' 11' ' ' LEU . 6.0 mt-30 -74.39 -30.39 61.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.4 m-20 -77.15 -30.57 55.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.963 HD23 HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -69.45 -64.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.019 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -52.85 -42.33 65.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 16.8 ttt180 -65.7 -41.16 92.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.81 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.3 m -53.83 -35.93 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.767 ' HG ' HD21 ' B' ' 323' ' ' LEU . 4.0 mm? -69.7 -24.08 63.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.4 mmtp -59.23 -34.14 71.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.43 -177.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -31.6 6.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 m 85.31 84.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.57 -61.66 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.02 -102.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -60.34 -50.71 72.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.654 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -32.16 -60.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.2 pt20 -41.71 -48.68 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.533 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.3 mt-30 -73.35 -28.44 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.81 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.7 mt-30 -67.16 -51.23 56.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.1 m -60.29 -54.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.23 -35.06 76.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.2 m-20 -58.87 -64.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -62.62 -60.62 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' A' ' 41' ' ' MET . 2.3 mt -36.69 -34.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.1 mtmt -70.21 -53.91 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' ILE . 35.4 m -92.7 20.28 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 4.0 m-80 -142.21 86.2 10.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.4 Cg_endo -74.96 -79.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 23.0 tp60 -50.21 -22.51 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.963 HD11 HD23 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -83.68 -41.67 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.639 ' HA ' HD22 ' A' ' 34' ' ' LEU . 2.4 ttt -57.97 -27.26 63.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.91 -31.02 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB1' HG12 ' B' ' 320' ' ' VAL . . . -71.23 -61.27 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 14' ' ' LEU . 3.7 t80 -58.31 -53.6 56.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -46.17 -50.43 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.87 -42.3 89.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.52 -26.74 68.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.326 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.534 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 2.4 ttp180 -78.18 -49.01 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.639 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.3 t -78.27 -16.13 58.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.33 -11.8 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' CB ' HD11 ' B' ' 340' ' ' ILE . 0.8 OUTLIER -91.37 -27.71 18.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -101.82 -51.66 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -43.08 -30.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -58.04 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -88.62 18.29 4.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 5.4 mt-30 -124.11 92.92 47.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 104.74 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.34 -66.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' B' ' 307' ' ' GLU . 13.0 t -136.87 171.17 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 304' ' ' THR . 2.3 p -151.8 -52.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' B' ' 310' ' ' ASN . 13.2 t -118.23 -8.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.666 ' OE2' HD21 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -49.25 166.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 38.62 28.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' B' ' 307' ' ' GLU . 1.3 ttt180 -132.98 -66.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.706 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.5 OUTLIER -83.55 -163.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.8 175.85 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.784 ' HA ' HD22 ' B' ' 315' ' ' LEU . 9.8 tt0 -47.73 -36.49 11.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.63 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -52.55 -31.78 37.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.706 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -75.26 -32.38 61.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.784 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -59.91 -60.84 3.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.864 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -62.88 -51.28 67.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 31.3 mm-40 -39.59 -40.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -72.08 -44.88 62.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.816 HD12 ' O ' ' B' ' 319' ' ' LEU . 0.1 OUTLIER -65.57 -47.02 77.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 316' ' ' LEU . 0.9 OUTLIER -66.02 -38.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 14.5 t -63.39 -46.51 86.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.502 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.43 -33.97 73.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.767 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.0 mt -69.53 -35.86 75.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.21 -53.95 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -89.2 44.4 3.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.558 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.1 tppt? -41.89 124.71 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -34.21 58.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -44.94 -27.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.525 HG23 ' HD3' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -50.34 -31.22 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.23 -68.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -49.07 74.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.99 48.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' B' ' 334' ' ' LEU . 12.4 pt-20 -55.95 -21.6 21.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' B' ' 333' ' ' GLU . 6.0 mp -80.95 -36.04 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.533 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.84 -12.79 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' B' ' 329' ' ' THR . 0.6 OUTLIER -32.66 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.539 ' HB3' HD22 ' B' ' 338' ' ' LEU . . . -42.28 -49.95 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.629 ' N ' HD22 ' B' ' 338' ' ' LEU . 1.2 mm? -110.38 -21.82 12.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 66.66 -56.72 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.866 ' HB ' HD23 ' B' ' 343' ' ' LEU . 1.7 pp -93.22 20.94 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 0.778 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.553 ' HA ' HG12 ' B' ' 344' ' ' VAL . 1.2 t0 -54.15 -12.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.698 ' N ' ' CD ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -84.93 -21.86 29.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.7 mm? -84.55 -38.36 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.795 HG13 ' CB ' ' B' ' 357' ' ' PRO . 6.7 p -78.9 -3.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.157 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 0.7 OUTLIER -33.58 -45.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 152.53 -109.94 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 94.95 -42.7 2.35 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -142.47 -93.44 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.438 HD12 ' O ' ' B' ' 349' ' ' LEU . 1.3 pp -163.12 79.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.95 81.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.448 ' C ' ' N ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -160.3 116.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.809 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.47 -27.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.586 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.1 OUTLIER 76.28 62.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 132.68 38.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER 63.86 12.32 6.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' B' ' 355' ' ' LEU . 3.4 m 40.32 92.84 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.795 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 5.46 3.99 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.748 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -132.12 -67.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.556 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 154.89 69.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 4.3 p 86.19 80.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.778 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -93.7 -58.75 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -108.42 -57.97 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -70.17 -149.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.95 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.738 HG21 ' CD2' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -161.56 141.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 3.4 m -69.02 143.48 94.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.903 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 10.93 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 13.8 m -101.49 -10.76 19.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -82.22 -62.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.911 HD13 ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -42.43 -29.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.73 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.0 mt-30 -73.33 -40.99 64.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.6 m-20 -74.65 -29.57 61.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD12 ' HD2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -64.95 -68.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.25 -29.8 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -75.17 -23.79 57.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.777 HG23 ' HB2' ' A' ' 29' ' ' GLN . 2.3 m -75.97 -53.75 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' B' ' 343' ' ' LEU . 3.1 mm? -49.45 -26.05 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 2.2 mptm? -56.39 -37.43 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.562 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.4 -178.28 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.1 Cg_endo -74.99 -33.06 4.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.536 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 88.08 83.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.88 -61.02 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.97 -101.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 mt-30 -61.23 -51.23 69.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.712 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.62 -59.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.568 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.2 pt20 -41.86 -50.42 4.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 1.8 mt-30 -72.59 -26.61 61.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.777 ' HB2' HG23 ' A' ' 17' ' ' THR . 8.0 mt-30 -68.87 -52.34 30.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -59.4 -52.56 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -60.11 -36.66 77.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.2 m-20 -58.8 -67.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.746 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -55.85 -60.98 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD13 HG13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -39.71 -29.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 33' ' ' ILE . 14.3 mttm -84.51 -53.93 5.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 49.5 m -78.1 1.3 21.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.1 m120 -145.73 101.96 4.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -55.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -52.57 -42.29 64.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.738 ' CD2' HG21 ' A' ' 6' ' ' ILE . 4.0 mm? -60.82 -52.74 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.88 -45.88 51.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -55.58 -46.09 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.01 -59.8 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.694 ' CE2' HD11 ' A' ' 18' ' ' LEU . 3.6 t80 -54.43 -57.33 11.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.787 ' O ' HD13 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -48.01 -35.82 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -65.18 -50.11 67.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.855 ' HB2' HG23 ' B' ' 320' ' ' VAL . 18.8 tp60 -74.87 -13.0 60.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.609 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -95.71 -21.2 18.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.627 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 8.1 t -99.55 -17.66 17.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 -18.47 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' CG ' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -82.24 -29.36 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.817 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.1 OUTLIER -99.56 -59.59 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -39.7 -27.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' TYR . . . -74.04 -65.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 56' ' ' GLN . 24.6 p30 -64.75 -21.32 66.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 52' ' ' TYR . 2.3 pt20 -127.95 85.51 60.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.43 17.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.799 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.65 88.19 1.14 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 110.987 179.962 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.952 -0.442 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.837 ' O ' HG23 ' B' ' 305' ' ' THR . 2.6 t -61.75 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.837 HG23 ' O ' ' B' ' 304' ' ' THR . 0.3 OUTLIER -167.95 76.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.426 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.803 HG21 ' HB1' ' B' ' 314' ' ' ALA . 9.8 p -177.79 -30.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' B' ' 306' ' ' VAL . 0.3 OUTLIER -29.92 104.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 132.71 -29.48 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -100.0 -72.04 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.4 t-20 59.5 128.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.83 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.8 m-20 152.4 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.0 109.249 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' B' ' 311' ' ' ASP . 11.7 tt0 -36.4 -57.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.894 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -62.91 -36.97 85.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.894 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -66.77 -33.39 75.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.609 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.6 mm? -63.93 -62.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.464 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.7 pp -59.86 -25.92 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.648 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.5 mm-40 -73.8 -28.56 61.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -74.83 -46.79 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.914 ' O ' HD22 ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.92 -47.2 66.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.88 ' N ' HD13 ' B' ' 319' ' ' LEU . 4.0 p -62.12 -43.91 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 28.7 t -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.76 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.68 HD21 ' HG ' ' A' ' 18' ' ' LEU . 5.8 mt -63.73 -50.85 67.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -54.19 32.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.61 48.35 2.82 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.427 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.3 tppp? -40.69 121.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 0.724 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.59 -36.95 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.4 tt0 -45.64 -26.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.557 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.4 OUTLIER -52.07 -34.53 44.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.18 -44.8 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 -48.47 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.4 50.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -50.13 -22.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -37.89 27.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.427 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.0 m-20 -79.14 -18.45 53.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.557 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -38.77 -31.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -41.19 -58.21 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.544 HD12 ' CG ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -94.51 -18.12 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.64 -51.03 2.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.755 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.6 pp -111.81 15.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 357' ' ' PRO . 1.2 t0 -49.09 -27.27 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -68.81 -28.51 66.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -75.92 -26.49 57.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.817 HG13 ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -89.41 -11.32 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.1 tm0? -32.61 -38.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.469 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . 162.18 -79.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 76.79 -62.68 3.2 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -152.56 39.08 0.75 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.6 tp 63.42 68.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.59 13.65 5.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.666 HG12 ' O ' ' B' ' 344' ' ' VAL . 0.9 OUTLIER -78.08 147.68 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.665 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.91 8.66 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 3.5 t 82.66 -58.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.945 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.86 131.58 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.8 OUTLIER 51.56 68.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.368 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 356' ' ' VAL . 16.5 m -37.72 102.93 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.64 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.3 Cg_endo -74.89 -2.67 12.82 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.993 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -117.56 -43.57 2.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.264 -179.921 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 120.12 91.17 1.26 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 78.69 65.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.993 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.4 157.52 22.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 6' ' ' ILE . 7.6 mmt85 -56.85 96.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 4' ' ' ARG . 7.5 p 53.84 -88.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.666 ' CD1' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -163.12 147.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' SER . 4.1 m -82.77 144.82 49.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.64 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -74.93 10.47 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' SER . 62.2 m -100.97 -10.06 20.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.69 -63.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.33 -29.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.586 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.8 tt0 -73.26 -40.52 64.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 10' ' ' ALA . 1.9 m-20 -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 44' ' ' PHE . 2.4 tp -65.97 -68.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -30.19 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 1.4 ttt-85 -74.16 -27.22 60.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -72.1 -47.47 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 44' ' ' PHE . 2.8 mm? -57.92 -28.6 64.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' B' ' 303' ' ' PRO . 2.4 mptp? -53.72 -34.43 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.65 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.1 p -52.56 -173.21 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -75.01 -35.35 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.646 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.1 m 87.61 85.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.76 -62.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -75.0 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' GLN . 7.1 mt-30 -60.82 -52.02 66.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.728 ' O ' HG13 ' A' ' 30' ' ' VAL . 3.7 tm0? -29.44 -61.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.569 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.4 pt20 -41.01 -50.7 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.569 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.05 -27.84 61.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.827 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.6 mm-40 -67.86 -52.25 38.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -59.29 -52.54 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -62.93 -32.75 74.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -60.03 -59.67 5.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.33 -61.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD23 ' NH2' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -37.1 -35.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 33' ' ' ILE . 6.0 mtmm -62.26 -52.59 63.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' ILE . 2.1 m -100.17 18.98 17.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -122.74 90.27 49.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.555 ' HB2' ' CG1' ' A' ' 6' ' ' ILE . 15.8 mt-30 -75.75 -15.88 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD12 HD22 ' A' ' 14' ' ' LEU . 2.7 mm? -86.32 -55.1 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -49.72 -49.44 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.95 -42.73 76.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.17 -58.55 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.965 ' HB2' HD21 ' A' ' 14' ' ' LEU . 2.8 t80 -57.17 -56.04 26.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.43 -34.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -68.73 -47.3 66.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.704 HE21 HG13 ' B' ' 320' ' ' VAL . 8.8 tp-100 -73.57 -17.2 61.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.617 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 1.4 ttp180 -91.13 -31.27 16.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.613 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 14.8 t -88.51 -15.65 34.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.63 -11.11 6.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.709 ' HG2' HD11 ' B' ' 340' ' ' ILE . 11.0 tppt? -89.5 -23.95 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.649 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.0 -45.38 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.88 -22.35 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.42 16.39 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' TYR . 58.1 m-20 -143.51 -46.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.82 114.38 59.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.62 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.54 88.84 1.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' B' ' 318' ' ' GLN . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' B' ' 318' ' ' GLN . 0.6 OUTLIER -134.85 130.22 35.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.391 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.761 ' HA ' HH21 ' B' ' 309' ' ' ARG . 86.1 m -158.27 49.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.921 HG13 ' HB1' ' B' ' 314' ' ' ALA . 0.4 OUTLIER 175.85 -28.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' B' ' 315' ' ' LEU . 37.9 tt0 -43.87 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.41 ' C ' ' HD2' ' B' ' 309' ' ' ARG . . . -78.07 44.64 2.4 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.761 HH21 ' HA ' ' B' ' 305' ' ' THR . 0.3 OUTLIER -136.24 -41.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.737 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.6 OUTLIER -109.16 -162.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 171.41 14.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.721 ' HA ' HD22 ' B' ' 315' ' ' LEU . 28.5 tt0 -45.23 -39.52 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -51.78 -29.79 20.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.921 ' HB1' HG13 ' B' ' 306' ' ' VAL . . . -76.43 -28.36 56.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -64.83 -59.07 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.833 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -64.32 -35.38 80.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.4 mm-40 -68.12 -31.93 71.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' B' ' 303' ' ' PRO . 7.2 tp60 -67.89 -47.1 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.87 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -74.47 -34.0 63.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.833 HG23 ' O ' ' B' ' 316' ' ' LEU . 38.5 t -65.88 -54.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.0 t -58.91 -41.3 86.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -34.0 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' B' ' 323' ' ' LEU . 5.3 mt -66.25 -50.25 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -50.65 64.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.49 44.59 2.76 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 125.23 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.11 -41.08 26.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -45.29 -26.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -33.25 21.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.36 -53.15 61.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.41 -50.13 13.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . . . . . . . . . . . -80.41 50.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -49.77 -22.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.16 -42.92 71.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' B' ' 337' ' ' ALA . 17.7 m-20 -76.22 -15.91 59.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -27.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.51 -60.41 1.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' B' ' 341' ' ' ASP . 2.3 mt -96.18 -19.15 19.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.418 ' C ' HG23 ' B' ' 340' ' ' ILE . . . 78.93 -6.55 55.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.748 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.2 pp -152.86 21.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.45 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -53.34 -28.08 26.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -21.99 63.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' B' ' 323' ' ' LEU . 0.1 OUTLIER -80.87 -31.47 35.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.947 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 0.9 OUTLIER -83.79 -8.44 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.492 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 2.0 tt0 -34.04 -36.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 145.18 104.48 0.44 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -149.4 -54.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' B' ' 350' ' ' ASP . . . -87.23 93.44 1.89 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 15.7 tp 65.58 -77.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' B' ' 348' ' ' GLY . 38.2 m-20 -170.58 151.26 3.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.578 HG22 ' N ' ' B' ' 352' ' ' LEU . 3.1 p -45.2 169.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.657 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -91.9 25.44 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.7 -66.1 0.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' B' ' 355' ' ' LEU . 10.1 ttmt -40.23 126.17 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 354' ' ' LYS . 4.2 mm? 58.91 154.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . . . . . . . . . 3.4 m -112.84 95.42 33.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' B' ' 341' ' ' ASP . 18.5 Cg_endo -74.95 4.35 4.79 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.792 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.906 ' HB2' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -131.03 -42.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.555 ' H ' HD11 ' B' ' 361' ' ' LEU . . . 119.4 73.75 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.602 ' C ' HD12 ' B' ' 361' ' ' LEU . 1.7 t 87.28 84.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.906 HD21 ' HB2' ' B' ' 358' ' ' ARG . 1.7 mp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -149.87 97.55 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HD2' ' CA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -81.32 169.29 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -45.67 -63.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.69 HG13 HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER 173.8 143.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 9' ' ' SER . 12.1 m -69.02 136.44 89.55 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.621 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 12.5 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 7' ' ' SER . 19.7 m -101.73 -10.74 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -85.44 -63.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.777 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -44.32 -29.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.584 ' H ' HD22 ' A' ' 11' ' ' LEU . 5.8 mm-40 -73.8 -40.26 63.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 10' ' ' ALA . 19.9 m-20 -73.11 -32.35 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.993 HD23 ' HG ' ' B' ' 319' ' ' LEU . 4.4 tp -66.89 -66.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.049 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.84 -34.15 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 2.1 ttm180 -74.44 -27.99 60.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.842 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -69.65 -43.99 71.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 44' ' ' PHE . 3.0 mm? -61.19 -28.38 69.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -52.55 -35.72 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.582 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.92 -177.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.582 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 2.7 t 88.94 83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 163.01 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.042 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -100.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.1 mt-30 -61.61 -50.46 72.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 30' ' ' VAL . 6.5 tm0? -32.19 -58.55 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.56 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 4.6 pt20 -42.43 -50.03 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.56 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.3 -25.34 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.842 ' CB ' HG23 ' A' ' 17' ' ' THR . 4.8 mm-40 -67.74 -47.52 69.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -63.46 -51.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.62 -35.92 82.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 10.9 m-20 -57.31 -58.84 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.892 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.68 -60.38 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD13 HG13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -36.79 -34.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 7.6 mttt -63.52 -52.81 59.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -97.56 16.17 21.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -122.65 91.21 49.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 39' ' ' GLN . 1.1 tp-100 -73.52 -15.16 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD22 HG13 ' A' ' 6' ' ' ILE . 1.6 mm? -82.95 -54.8 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.545 ' O ' ' N ' ' A' ' 45' ' ' ILE . 19.1 ttt -50.93 -44.32 60.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -51.35 -42.56 61.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -59.5 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 1.5 t80 -57.33 -58.21 9.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -42.24 -50.58 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.47 -36.74 84.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.001 ' CD ' HD13 ' B' ' 343' ' ' LEU . 0.6 OUTLIER -78.01 -47.62 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.614 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.6 t -61.58 -24.63 66.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.454 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -13.6 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.239 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.866 ' HE3' HD13 ' B' ' 338' ' ' LEU . 0.6 OUTLIER -91.1 -28.88 17.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.698 ' N ' ' CD1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -99.09 -42.67 6.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -57.19 -37.97 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.9 62.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 50.7 m-20 -102.0 -42.07 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -123.06 96.22 45.03 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.28 70.77 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 ttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 111.041 179.969 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 9.1 t -151.0 151.66 32.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 9.2 t -139.53 22.41 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' B' ' 314' ' ' ALA . 32.3 m -132.03 6.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.95 -33.2 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -78.7 4.87 59.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.558 ' NH1' ' HZ1' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -131.35 -59.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.546 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.7 t-20 64.14 144.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.815 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 5.6 m-20 152.2 166.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 311' ' ' ASP . 0.9 OUTLIER -38.64 -60.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.622 ' CE ' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -60.95 -33.05 72.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.815 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -67.67 -33.48 75.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.746 HD12 ' HG ' ' A' ' 11' ' ' LEU . 3.8 mm? -64.8 -61.35 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.6 OUTLIER -60.44 -31.65 70.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 6.9 mm-40 -68.95 -31.88 71.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.993 ' HG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.53 -35.56 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.858 ' N ' HD13 ' B' ' 319' ' ' LEU . 24.4 t -63.26 -55.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 3.2 t -57.15 -44.56 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.3 -31.76 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.991 HD13 HH21 ' A' ' 48' ' ' ARG . 5.3 mt -68.83 -44.4 73.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 -52.61 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.96 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -92.44 58.01 2.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.51 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER -46.84 121.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.02 -37.57 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.49 -22.43 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.59 HG23 ' HA ' ' B' ' 336' ' ' ARG . 28.0 m -50.75 -24.91 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.6 -49.75 69.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -53.41 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -79.99 52.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -50.1 -22.93 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.45 ' C ' HD13 ' B' ' 334' ' ' LEU . 1.7 tm? -81.92 -52.05 7.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' B' ' 337' ' ' ALA . 0.3 OUTLIER -69.89 -14.61 62.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.59 ' HA ' HG23 ' B' ' 329' ' ' THR . 75.2 ttt180 -39.87 -27.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.23 -49.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.866 HD13 ' HE3' ' A' ' 51' ' ' LYS . 8.7 mt -103.02 -23.67 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.771 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 72.17 -1.75 31.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.89 ' CG2' HD21 ' B' ' 343' ' ' LEU . 1.7 pp -161.36 25.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.468 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -70.24 -5.92 31.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -85.47 -51.67 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 1.001 HD13 ' CD ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -60.18 -12.89 9.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 340' ' ' ILE . 6.5 t -101.18 -13.96 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.551 ' HG3' ' CG ' ' B' ' 358' ' ' ARG . 20.0 tt0 -29.85 -44.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 162.61 133.09 1.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -157.52 58.3 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 94.72 46.17 2.99 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.6 mp 46.94 69.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -138.04 25.75 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.519 HG23 ' H ' ' B' ' 353' ' ' SER . 1.1 m -100.48 134.07 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.753 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -40.33 -28.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 1.6 t 88.75 -51.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 356' ' ' VAL . 4.8 tttt -49.21 -78.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' B' ' 356' ' ' VAL . 0.6 OUTLIER -69.66 64.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.592 HG12 HD23 ' B' ' 361' ' ' LEU . 6.9 m -33.75 98.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' B' ' 355' ' ' LEU . 18.3 Cg_endo -75.02 2.99 6.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.862 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -124.5 -57.84 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.622 ' H ' HD21 ' B' ' 361' ' ' LEU . . . 137.45 74.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 84.63 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' B' ' 358' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.64 132.96 37.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.39 -173.79 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 p -78.27 -164.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.504 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -156.95 166.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 6' ' ' ILE . 75.2 m -85.73 156.31 58.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.04 -72.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.626 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.9 p -18.96 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD13 ' A' ' 40' ' ' LEU . . . -39.83 -49.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.029 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.6 -46.88 58.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.934 ' H ' HD13 ' A' ' 11' ' ' LEU . 1.2 mt-30 -66.09 -30.77 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -35.37 72.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -68.15 -64.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.03 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -50.04 -34.37 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 13.2 ttm-85 -76.0 -28.04 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.748 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -73.28 -34.18 65.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -67.37 -26.85 66.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -56.89 -32.06 65.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.631 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -51.63 -174.88 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.631 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.03 -35.8 2.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.64 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.9 p 87.17 85.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.622 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.07 -62.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.3 Cg_endo -74.96 -97.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -60.58 -49.9 75.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.667 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.8 tm0? -31.64 -60.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.0 pt20 -40.97 -49.22 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -73.2 -28.61 62.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.748 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.9 mm100 -70.31 -54.74 11.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.88 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -55.27 -49.08 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.24 -32.05 73.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.6 m-20 -59.97 -56.41 22.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.42 -46.1 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.26 -30.73 60.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -92.86 -34.62 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ASN . 18.9 m -79.91 -4.08 50.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.848 ' HB2' HD22 ' A' ' 40' ' ' LEU . 1.6 m-80 -158.54 108.15 1.65 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.0 -70.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 15.2 tp60 -43.21 -26.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -78.15 -44.33 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.618 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.46 -28.3 63.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 45' ' ' ILE . . . -60.39 -38.83 85.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.73 61.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.837 ' HE2' HD21 ' A' ' 18' ' ' LEU . 3.0 t80 -69.05 -56.85 6.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -41.83 -46.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -71.15 -35.08 71.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.83 HE21 HG22 ' B' ' 320' ' ' VAL . 2.6 tp-100 -66.17 -44.42 84.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 4.3 ptt180 -72.4 -40.52 67.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' LYS . 2.2 t -72.46 -18.95 61.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.45 -13.29 12.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.88 ' HG2' HD11 ' B' ' 340' ' ' ILE . 4.6 tppt? -91.12 -31.99 16.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.965 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.5 -50.25 5.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -46.47 -27.3 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -44.63 68.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' TYR . 10.8 p30 -103.82 18.79 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.6 mt-30 -126.44 97.09 34.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.81 -84.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.77 . . . . 0.0 111.019 179.974 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.412 ' O ' ' HB ' ' B' ' 304' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.046 -0.405 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.628 ' O ' HG12 ' B' ' 306' ' ' VAL . 3.1 t -177.34 -40.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 40.89 40.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.628 HG12 ' O ' ' B' ' 304' ' ' THR . 7.8 p -169.89 44.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -89.15 -17.8 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -97.58 19.56 54.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -135.52 -64.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 2.9 t30 61.49 139.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.746 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 1.8 m-20 153.75 166.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -38.95 -57.02 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.744 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -61.1 -35.9 78.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.746 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -66.96 -33.81 76.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.585 HD12 ' CD1' ' A' ' 11' ' ' LEU . 4.2 mm? -64.36 -60.93 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 313' ' ' LYS . 1.6 pp -60.68 -31.94 71.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 320' ' ' VAL . 8.9 mm-40 -68.23 -30.03 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.99 -47.03 66.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 320' ' ' VAL . 0.0 OUTLIER -71.83 -50.05 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 1.018 ' N ' HD13 ' B' ' 319' ' ' LEU . 0.8 OUTLIER -57.93 -39.04 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 12.1 t -62.19 -52.48 63.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.628 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.03 -29.71 67.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' A' ' 18' ' ' LEU . 8.4 mt -66.88 -49.11 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.44 -53.24 38.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.956 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -90.07 50.79 3.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.774 ' HB2' HG22 ' B' ' 340' ' ' ILE . 0.3 OUTLIER -41.2 119.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -27.02 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -24.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.642 ' HA ' ' HZ1' ' B' ' 342' ' ' LYS . 1.0 OUTLIER -62.23 -30.61 71.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.6 -44.32 81.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -49.92 7.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.437 ' HB1' ' CG ' ' B' ' 335' ' ' ASP . . . -78.92 55.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -46.92 -23.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -80.73 -49.54 11.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.437 ' CG ' ' HB1' ' B' ' 332' ' ' ALA . 0.9 OUTLIER -61.06 -15.51 33.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' B' ' 337' ' ' ALA . 0.0 OUTLIER -49.56 -20.76 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -36.52 -62.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' B' ' 341' ' ' ASP . 74.7 mt -96.63 -17.59 20.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 88.06 -28.94 5.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.88 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.4 pp -132.71 8.58 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.33 -18.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.642 ' HZ1' ' HA ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.51 -9.17 59.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.95 HD23 ' C ' ' B' ' 343' ' ' LEU . 0.0 OUTLIER -100.88 -15.07 17.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.926 ' N ' HD23 ' B' ' 343' ' ' LEU . 1.3 p -113.07 -3.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.542 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 2.3 mt-30 -28.87 -46.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 122.16 -152.84 16.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 161.14 -27.01 0.28 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -173.7 -92.07 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.32 95.56 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.591 ' O ' ' O ' ' B' ' 351' ' ' VAL . 1.3 t0 -174.12 -157.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.796 HG23 ' CG2' ' B' ' 344' ' ' VAL . 4.2 p 48.37 169.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.965 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -84.66 14.55 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.45 ' O ' ' O ' ' B' ' 354' ' ' LYS . 16.9 t 62.94 -72.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' B' ' 352' ' ' LEU . 6.2 tttt -45.35 172.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' B' ' 357' ' ' PRO . 2.7 mp 42.73 58.37 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 356' ' ' VAL . 17.2 m -37.38 98.25 0.15 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.464 ' CG ' HG22 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.94 1.05 8.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.761 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -116.69 -45.11 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 144.49 -41.77 1.07 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.554 ' C ' HD22 ' B' ' 361' ' ' LEU . 96.2 p -160.31 93.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.804 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -166.31 141.9 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -48.46 165.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -47.01 -63.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.704 HG13 HD22 ' A' ' 40' ' ' LEU . 0.2 OUTLIER 175.6 147.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 9' ' ' SER . 25.0 m -79.82 137.95 54.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.624 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 12.65 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 7' ' ' SER . 76.9 p -102.56 -10.5 19.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.895 ' HB1' ' OD1' ' A' ' 37' ' ' ASN . . . -85.7 -63.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.783 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.69 -28.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' H ' HD22 ' A' ' 11' ' ' LEU . 6.7 mt-30 -74.58 -41.14 61.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -71.36 -35.57 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD23 ' HD2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -65.46 -68.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.737 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -50.12 -29.92 10.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 10.6 ttm180 -75.84 -29.53 58.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.734 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -67.64 -44.22 78.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.624 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -55.15 -25.01 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 6.4 mmtt -54.89 -37.87 66.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.603 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.35 -176.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.0 -34.6 3.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.588 ' CB ' ' NE2' ' A' ' 26' ' ' GLN . 4.5 p 89.07 82.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER 162.92 -60.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.01 -96.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.53 -54.88 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.71 ' O ' HG13 ' A' ' 30' ' ' VAL . 5.3 tt0 -29.47 -60.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.8 pt20 -40.78 -50.62 3.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 4.1 mt-30 -73.73 -26.33 60.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.734 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mm100 -68.89 -50.52 48.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.0 OUTLIER -60.78 -52.0 66.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -63.49 -32.7 74.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 6.3 m-20 -59.63 -59.87 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.564 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.1 -59.42 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -37.75 -34.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 32' ' ' ASN . 4.1 mttt -64.18 -52.09 60.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 33' ' ' ILE . 65.0 m -96.91 16.76 18.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.895 ' OD1' ' HB1' ' A' ' 10' ' ' ALA . 1.9 m-80 -127.82 90.74 47.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -64.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' HG13 ' A' ' 6' ' ' ILE . 1.2 tt0 -65.86 -18.2 65.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 HG13 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -85.28 -55.46 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -48.95 -48.96 42.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -53.16 -44.33 67.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -60.47 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.775 ' HD2' HD23 ' A' ' 14' ' ' LEU . 5.3 t80 -52.81 -56.42 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.98 -41.39 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -62.47 -35.95 80.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.656 ' OE1' HG13 ' B' ' 320' ' ' VAL . 35.7 tp60 -76.98 -26.33 53.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.773 HH11 HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -76.18 -41.1 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.64 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 5.3 t -83.36 -18.7 37.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -59.03 -13.57 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.601 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.9 OUTLIER -85.8 -24.4 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.702 ' CD2' ' CD2' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.7 -53.63 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -41.53 -39.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.72 -45.73 70.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -88.39 -12.85 42.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.5 mm-40 -112.15 95.95 32.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.79 38.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.28 61.91 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.897 ' O ' HG23 ' B' ' 305' ' ' THR . 13.3 t -74.55 -166.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.897 HG23 ' O ' ' B' ' 304' ' ' THR . 0.2 OUTLIER -170.48 46.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' B' ' 309' ' ' ARG . 12.4 p -175.34 45.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -84.35 -41.96 16.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -79.49 12.06 28.95 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.67 ' CZ ' ' HZ3' ' B' ' 313' ' ' LYS . 0.0 OUTLIER -127.36 -59.52 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.798 . . . . 0.0 110.321 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.693 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 35.6 t30 57.87 163.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.778 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 8.8 t70 137.92 161.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' B' ' 316' ' ' LEU . 4.6 pt-20 -37.56 -59.5 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.67 ' HZ3' ' CZ ' ' B' ' 309' ' ' ARG . 0.0 OUTLIER -61.36 -31.84 71.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.778 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -68.25 -32.44 72.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.634 HD12 ' HG ' ' A' ' 11' ' ' LEU . 4.3 mm? -66.97 -62.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.776 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.3 -25.19 63.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 25.6 mm-40 -73.48 -35.83 65.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.675 ' HG3' ' N ' ' B' ' 319' ' ' LEU . 0.9 OUTLIER -67.26 -36.26 81.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.675 ' N ' ' HG3' ' B' ' 318' ' ' GLN . 0.1 OUTLIER -84.1 -35.27 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 316' ' ' LEU . 11.6 t -64.07 -50.13 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -47.33 77.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.969 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.1 OUTLIER -57.87 -32.46 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.962 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.773 HD13 HH11 ' A' ' 48' ' ' ARG . 6.0 mt -72.29 -46.51 55.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -53.93 44.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -86.52 51.5 4.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' B' ' 323' ' ' LEU . 1.0 OUTLIER -42.44 125.41 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -75.57 -32.33 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.05 -31.36 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -51.12 -27.47 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.84 -71.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.674 HD12 ' N ' ' B' ' 332' ' ' ALA . 3.9 pp -67.64 -30.98 70.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.674 ' N ' HD12 ' B' ' 331' ' ' LEU . . . -80.56 50.24 1.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.4 -22.8 8.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 334' ' ' LEU . 0.3 OUTLIER -79.22 -51.98 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.5 ' CG ' ' NZ ' ' B' ' 342' ' ' LYS . 0.0 OUTLIER -66.43 -15.57 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.1 OUTLIER -36.56 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.79 -63.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.9 -19.08 14.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.504 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 74.64 -5.1 31.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.74 ' O ' HD12 ' B' ' 340' ' ' ILE . 2.3 pp -156.45 22.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.475 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.6 OUTLIER -57.37 -24.79 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.5 ' NZ ' ' CG ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -74.11 -18.04 60.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -84.95 -41.91 15.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.841 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.7 p -80.36 -4.85 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.537 ' HG2' ' CG ' ' B' ' 358' ' ' ARG . 1.2 mt-30 -36.93 -46.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 165.94 100.22 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -94.9 -133.98 7.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -89.56 -73.82 1.28 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.5 67.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 43.5 -161.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.836 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.1 OUTLIER -145.45 -108.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.702 ' CD2' ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -151.34 107.62 3.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.465 ' O ' ' N ' ' B' ' 355' ' ' LEU . 1.0 OUTLIER -59.68 -149.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.13 -88.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 353' ' ' SER . 6.9 mt -77.18 56.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' B' ' 355' ' ' LEU . 6.9 m -38.23 102.11 0.24 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.841 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.02 -0.13 9.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.782 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -115.43 -42.78 3.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.09 -45.99 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.634 ' C ' HD22 ' B' ' 361' ' ' LEU . 12.0 t -154.8 93.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.819 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.81 95.95 6.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -158.37 150.37 21.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -56.66 -74.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.961 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.537 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -153.57 151.12 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.537 ' H ' HD13 ' A' ' 6' ' ' ILE . 3.4 m -54.68 146.16 36.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.604 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.05 -78.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLN . 87.3 p -36.09 -39.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.63 ' HB1' ' ND2' ' A' ' 37' ' ' ASN . . . -41.18 -31.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -66.51 -50.1 64.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.592 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -63.84 -29.89 71.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -35.26 67.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.015 ' CD2' HD21 ' A' ' 40' ' ' LEU . 1.6 tp -67.95 -65.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.96 -37.4 44.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 8.4 ttm-85 -72.85 -32.34 65.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -64.55 -34.39 78.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.39 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.971 HD21 ' CE2' ' A' ' 44' ' ' PHE . 3.0 mt -75.88 -28.9 58.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -54.48 -22.24 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.62 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -60.36 -175.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.62 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.99 -34.18 4.04 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 23' ' ' SER . 2.4 m 86.96 89.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.966 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.589 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.3 OUTLIER 156.31 -60.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.94 -102.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' A' ' 28' ' ' GLN . 33.8 mt-30 -62.93 -51.31 67.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -31.09 -59.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.12 -50.11 4.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -72.96 -27.29 61.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.7 ' HB2' HG23 ' A' ' 17' ' ' THR . 4.2 mm-40 -68.65 -52.61 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.1 m -59.24 -53.45 47.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -60.08 -35.28 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 3.9 m-20 -57.66 -68.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -56.28 -63.13 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -37.56 -30.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' ILE . 9.3 mtmt -81.23 -51.15 8.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -80.36 4.64 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.777 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -150.66 90.27 4.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.2 Cg_endo -75.02 -77.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 39' ' ' GLN . 4.4 tp-100 -43.96 -23.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.015 HD21 ' CD2' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.3 -46.88 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -57.55 -24.77 58.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -49.67 -45.45 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' B' ' 316' ' ' LEU . . . -63.86 -60.62 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.971 ' CE2' HD21 ' A' ' 18' ' ' LEU . 1.6 t80 -53.89 -56.28 19.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -47.73 -35.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.797 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 4.5 mmpt? -74.67 -32.5 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -71.73 -47.55 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 5.3 ptt180 -69.0 -42.11 76.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 46' ' ' LYS . 5.9 t -75.19 -20.33 59.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.84 -9.66 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.723 ' CG ' HD23 ' B' ' 338' ' ' LEU . 0.8 OUTLIER -90.14 -24.68 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 1.046 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -109.04 -52.88 2.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -40.64 -34.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 16.6 m-20 -54.3 -43.5 71.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.81 92.03 32.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 165.07 32.17 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' MET . . . 169.63 -63.13 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 1.2 t -176.68 158.22 1.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.45 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' B' ' 306' ' ' VAL . 0.5 OUTLIER -112.79 173.62 6.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.966 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.545 HG23 ' N ' ' B' ' 307' ' ' GLU . 22.5 m 39.68 -141.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.545 ' N ' HG23 ' B' ' 306' ' ' VAL . 0.0 OUTLIER 76.35 157.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' B' ' 307' ' ' GLU . . . 32.41 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' B' ' 307' ' ' GLU . 1.2 ttm180 -145.72 -50.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.556 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 0.8 OUTLIER -90.12 -83.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.4 ' H ' ' HB3' ' B' ' 314' ' ' ALA . 1.2 t0 -173.96 -154.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.775 ' HA ' HD22 ' B' ' 315' ' ' LEU . 3.0 tt0 -61.46 -53.89 50.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.582 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.87 -32.92 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.582 ' HB2' ' HE3' ' B' ' 313' ' ' LYS . . . -74.6 -34.77 62.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' B' ' 312' ' ' GLU . 0.0 OUTLIER -62.69 -46.46 88.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.823 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -77.33 -50.35 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 313' ' ' LYS . 4.2 mm-40 -39.11 -48.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.709 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.3 OUTLIER -65.11 -43.8 90.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' B' ' 320' ' ' VAL . 0.1 OUTLIER -65.97 -56.75 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.823 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.0 OUTLIER -55.38 -36.88 42.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 1.5 m -57.93 -53.03 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -60.19 -32.67 71.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.787 HD21 HD22 ' A' ' 18' ' ' LEU . 9.0 mt -64.77 -44.31 90.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -47.68 66.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -96.36 46.79 1.8 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.517 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 2.2 tppp? -42.33 122.63 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -35.81 73.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.31 -27.97 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.616 HG23 ' HA ' ' B' ' 336' ' ' ARG . 7.5 m -53.9 -27.94 33.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.56 -56.13 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.67 -46.52 58.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.722 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -79.58 54.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' B' ' 336' ' ' ARG . 11.4 pt-20 -51.74 -20.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.84 -32.33 27.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.722 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -79.34 -15.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.616 ' HA ' HG23 ' B' ' 329' ' ' THR . 0.9 OUTLIER -36.15 -32.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -47.22 -62.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.723 HD23 ' CG ' ' A' ' 51' ' ' LYS . 5.6 mp -94.59 -22.81 17.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.518 ' O ' HG23 ' B' ' 340' ' ' ILE . . . 65.82 6.42 30.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.71 ' C ' HD12 ' B' ' 340' ' ' ILE . 2.0 pp -156.2 22.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.411 ' OD2' ' HA ' ' B' ' 357' ' ' PRO . 2.0 t0 -46.49 -23.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' B' ' 340' ' ' ILE . 0.0 OUTLIER -71.04 -42.92 68.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 18' ' ' LEU . 2.8 mp -67.02 -12.35 59.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 1.046 HG13 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -100.51 -15.21 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' B' ' 344' ' ' VAL . 1.2 tt0 -37.38 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.095 . . . . 0.0 110.257 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 160.42 140.47 2.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -171.4 122.13 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 94.93 -54.25 1.9 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.01 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.461 ' O ' HG13 ' B' ' 351' ' ' VAL . 3.7 p-10 -141.82 -160.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.763 HG11 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -157.91 124.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.904 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER 15.71 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.436 ' H ' HD23 ' B' ' 352' ' ' LEU . 2.4 p 165.53 -46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 137.28 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.17 72.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.609 HG12 HD23 ' B' ' 361' ' ' LEU . 2.1 m -41.83 103.96 0.33 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.487 ' CB ' ' HB ' ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.99 4.66 4.54 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.759 ' CB ' HD11 ' B' ' 361' ' ' LEU . 4.2 ttp85 -122.13 -49.91 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 148.74 -39.09 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.433 ' C ' HD22 ' B' ' 361' ' ' LEU . 55.6 p -162.33 87.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.822 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -149.8 156.45 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -56.51 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 p -95.99 -141.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' OD1' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -145.97 140.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.42 128.57 32.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 1.087 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 3.61 5.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -102.05 -11.29 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.702 ' CB ' HD11 ' A' ' 40' ' ' LEU . . . -79.53 -59.19 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.087 HD11 ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -41.97 -29.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.751 ' H ' HD22 ' A' ' 11' ' ' LEU . 55.3 mt-30 -70.18 -40.85 74.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 10' ' ' ALA . 8.2 m-20 -71.88 -28.55 63.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.894 HD11 ' CD2' ' A' ' 44' ' ' PHE . 9.2 tp -65.6 -70.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD13 ' CD ' ' B' ' 318' ' ' GLN . 0.0 OUTLIER -50.79 -33.28 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 39.9 ttt180 -75.74 -27.74 58.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.813 HG22 ' NE2' ' A' ' 26' ' ' GLN . 1.1 m -68.42 -44.81 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.795 ' HG ' HD21 ' B' ' 323' ' ' LEU . 2.9 mm? -56.9 -28.96 62.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HE2' ' CE2' ' B' ' 322' ' ' PHE . 29.0 mmtt -53.2 -29.64 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.68 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -53.54 -172.34 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.3 m 87.96 71.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.645 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 175.2 -63.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.4 Cg_endo -74.97 -98.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.614 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.6 mt-30 -54.6 -51.8 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.813 ' NE2' HG22 ' A' ' 17' ' ' THR . 8.0 tp60 -26.6 -62.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.7 pt20 -43.79 -49.35 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.14 -31.28 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.771 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.8 mm100 -66.36 -53.61 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.3 m -58.01 -54.7 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.58 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -61.28 -32.99 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 6.4 m-20 -59.83 -68.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.14 -53.22 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 30' ' ' VAL . 1.5 mt -47.05 -29.27 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 8.8 mttm -81.05 -49.54 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 0.52 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 1.052 ' CB ' HD12 ' A' ' 40' ' ' LEU . 27.5 m-80 -155.86 109.02 2.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -46.38 -41.5 13.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.052 HD12 ' CB ' ' A' ' 37' ' ' ASN . 18.5 mt -59.63 -54.66 43.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.653 ' O ' HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -47.93 -43.78 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -56.81 -43.63 81.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.22 -56.25 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 14' ' ' LEU . 19.5 t80 -57.22 -55.78 30.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -49.62 -40.03 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.3 mmpt? -62.33 -48.12 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.909 ' HG2' HG23 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -74.16 -18.23 60.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.585 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -86.57 -31.29 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.619 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 10.5 t -89.61 -16.54 30.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.66 -13.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.786 ' HG3' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -88.95 -34.36 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.977 ' CE1' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -97.56 -50.46 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -39.93 -41.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.29 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.49 -49.97 75.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -113.67 93.04 26.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 121.89 6.87 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.98 90.01 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 62.51 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.446 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.573 HG23 HG22 ' B' ' 306' ' ' VAL . 13.7 t -94.1 152.9 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.573 HG22 HG23 ' B' ' 305' ' ' THR . 31.2 m 36.57 -141.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 307' ' ' GLU . 0.0 OUTLIER 72.09 135.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.359 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 67.46 16.33 67.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -128.74 -67.88 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.366 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -65.93 -76.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.932 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.634 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 9.0 t70 -177.37 -174.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.0 OUTLIER -43.81 -55.74 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.531 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -46.15 -28.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -77.57 -35.49 53.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' B' ' 312' ' ' GLU . 1.0 OUTLIER -60.94 -59.32 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 1.045 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -59.12 -47.69 84.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.525 ' HA ' ' CG1' ' B' ' 320' ' ' VAL . 32.7 mm-40 -45.91 -40.25 9.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.726 ' CD ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.26 -43.98 80.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.707 HD22 HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.47 -59.67 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 1.045 HG12 ' O ' ' B' ' 316' ' ' LEU . 1.3 p -53.42 -39.34 35.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 10.7 t -59.49 -41.72 90.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.45 ' CE2' ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.4 -32.68 62.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.795 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.1 mt -59.48 -45.24 92.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.9 -51.95 53.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -91.32 50.97 3.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.476 ' NZ ' ' CD2' ' B' ' 323' ' ' LEU . 0.6 OUTLIER -42.93 122.24 2.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -36.69 68.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -47.88 -29.67 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.409 HG21 ' NH1' ' B' ' 336' ' ' ARG . 0.5 OUTLIER -51.46 -25.61 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -56.64 -68.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -49.87 74.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.677 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.79 51.05 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -48.49 -23.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.51 -48.77 11.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.677 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 70.8 m-20 -61.1 -15.36 32.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' B' ' 336' ' ' ARG . 1.0 OUTLIER -39.56 -28.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -39.9 -62.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' B' ' 341' ' ' ASP . 53.0 mt -88.93 -29.99 19.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.11 -12.47 24.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.786 HD11 ' HG3' ' A' ' 51' ' ' LYS . 2.2 pp -148.17 16.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.75 ' HB2' HD12 ' B' ' 338' ' ' LEU . 0.0 OUTLIER -50.71 -25.65 4.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.428 ' HE2' ' CB ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -66.66 -33.47 75.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.495 ' N ' HD22 ' B' ' 343' ' ' LEU . 2.6 mm? -80.11 -21.04 43.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.977 HG13 ' CE1' ' A' ' 52' ' ' TYR . 3.2 t -86.38 -10.35 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.412 ' HA ' ' C ' ' B' ' 357' ' ' PRO . 7.5 pt20 -38.48 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' B' ' 351' ' ' VAL . . . -173.93 121.92 0.87 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -112.31 -89.25 1.83 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -145.44 -44.24 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.667 ' H ' HD13 ' B' ' 349' ' ' LEU . 0.0 OUTLIER -91.87 37.81 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.501 ' O ' HG22 ' B' ' 351' ' ' VAL . 5.2 m-20 52.3 58.95 4.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.805 HG23 ' H ' ' B' ' 353' ' ' SER . 3.9 m 43.27 -169.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.757 ' N ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -101.23 -13.47 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.805 ' H ' HG23 ' B' ' 351' ' ' VAL . 1.4 t 88.29 -50.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 102.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' B' ' 356' ' ' VAL . 1.6 mp 67.21 89.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' B' ' 355' ' ' LEU . 13.9 m -37.88 102.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.459 ' HA ' ' OD2' ' B' ' 341' ' ' ASP . 18.3 Cg_endo -75.05 3.14 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.715 ' CB ' HD11 ' B' ' 361' ' ' LEU . 1.5 ttp85 -122.11 -44.51 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 142.43 -43.19 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.582 ' C ' HD22 ' B' ' 361' ' ' LEU . 11.4 t -155.53 91.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.822 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -87.84 166.35 14.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 141.41 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -81.5 -155.6 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.709 HG21 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -161.5 161.32 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.591 ' H ' HD13 ' A' ' 6' ' ' ILE . 66.8 m -74.23 142.68 79.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.53 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -60.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLN . 57.7 p -38.25 -37.57 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 40' ' ' LEU . . . -43.1 -32.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.623 HD12 ' OE1' ' B' ' 318' ' ' GLN . 0.2 OUTLIER -63.35 -46.8 84.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -62.71 -31.64 72.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.94 -38.78 61.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD23 ' CD2' ' B' ' 319' ' ' LEU . 1.3 tp -60.92 -67.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.07 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.34 -38.07 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 4.3 ttm180 -61.22 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.762 HG22 ' OE1' ' A' ' 26' ' ' GLN . 1.3 m -69.34 -51.07 40.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.849 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.7 mm? -48.28 -30.68 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 7.0 mmtt -52.93 -31.88 42.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.667 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.58 -173.08 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.4 Cg_endo -74.99 -36.24 2.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.589 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.9 t 88.1 79.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 167.07 -62.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -74.99 -96.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -58.01 -53.0 63.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.762 ' OE1' HG22 ' A' ' 17' ' ' THR . 1.5 tp-100 -27.85 -62.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.0 pt20 -41.45 -49.89 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -74.37 -27.72 60.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.351 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.721 ' CB ' HG23 ' A' ' 17' ' ' THR . 1.4 mm100 -70.98 -53.69 13.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.5 m -57.04 -50.66 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -66.75 -31.1 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 3.1 m-20 -59.23 -53.48 57.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.569 HG13 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -76.52 -42.71 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -57.4 -30.49 64.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 7.3 ptpt -90.6 -31.0 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.468 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 18.4 m -88.76 1.7 54.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.858 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.5 m-80 -160.37 114.28 1.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -47.07 -40.04 14.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD23 ' HB3' ' A' ' 37' ' ' ASN . 1.7 mm? -60.95 -51.09 70.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.567 ' O ' ' N ' ' A' ' 45' ' ' ILE . 6.5 ttt -50.56 -46.37 57.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -49.75 -40.12 39.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -62.37 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.7 t80 -57.39 -56.19 25.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -42.36 -49.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.01 -41.39 92.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PHE . 3.6 mm-40 -61.66 -45.05 95.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.56 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 6.8 mtp180 -63.79 -49.66 72.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.654 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.7 t -66.7 -25.14 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.04 -7.9 10.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' HD11 ' B' ' 340' ' ' ILE . 2.3 tppt? -93.98 -23.29 18.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -108.4 -45.11 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.39 -24.45 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.31 19.48 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER 174.15 49.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -121.47 112.02 32.95 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 98.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.7 70.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.851 ' O ' HG23 ' B' ' 305' ' ' THR . 8.9 t -64.01 -153.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.851 HG23 ' O ' ' B' ' 304' ' ' THR . 0.8 OUTLIER -164.84 150.41 9.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.373 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.76 HG22 ' N ' ' B' ' 307' ' ' GLU . 0.2 OUTLIER 47.64 -77.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.76 ' N ' HG22 ' B' ' 306' ' ' VAL . 9.3 pt-20 48.27 -139.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . 0.723 ' HA2' HD21 ' B' ' 315' ' ' LEU . . . -28.9 -39.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' B' ' 307' ' ' GLU . 0.0 OUTLIER -41.25 -47.39 3.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.683 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 1.3 m-20 -93.83 -165.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -174.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.618 ' HA ' HD23 ' B' ' 315' ' ' LEU . 12.0 tt0 -58.64 -37.61 76.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -53.01 -31.34 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -72.57 -35.15 67.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.723 HD21 ' HA2' ' B' ' 308' ' ' GLY . 3.8 mm? -59.96 -59.56 5.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.965 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -58.23 -38.33 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.671 ' HA ' HG22 ' B' ' 320' ' ' VAL . 3.9 mm-40 -53.15 -38.53 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.623 ' OE1' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -64.82 -45.58 85.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.755 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.36 -56.18 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.965 HG13 ' O ' ' B' ' 316' ' ' LEU . 2.3 m -53.5 -38.53 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 13.5 t -60.88 -53.76 53.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.854 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.35 -30.29 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.849 HD21 ' HG ' ' A' ' 18' ' ' LEU . 7.5 mt -66.38 -44.02 84.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -48.54 63.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' B' ' 326' ' ' LYS . . . -96.98 50.43 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.411 ' CE ' HD23 ' B' ' 323' ' ' LEU . 1.5 tppp? -40.62 125.43 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.54 -25.94 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -56.36 -32.25 64.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' HG2' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -51.02 -33.06 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -65.62 -75.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.51 -52.8 43.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 335' ' ' ASP . . . -80.22 51.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . 0.451 ' HG3' HD22 ' B' ' 334' ' ' LEU . 11.8 pt-20 -50.77 -22.44 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.451 HD22 ' HG3' ' B' ' 333' ' ' GLU . 4.1 mm? -78.76 -31.4 46.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.593 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 1.1 p-10 -73.38 -16.21 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.462 ' N ' ' OD1' ' B' ' 335' ' ' ASP . 0.2 OUTLIER -36.6 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -42.17 -63.28 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.538 HD23 ' CG ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -107.04 -13.05 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.424 ' O ' ' OD2' ' B' ' 335' ' ' ASP . . . 71.78 -53.97 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.736 ' C ' HD12 ' B' ' 340' ' ' ILE . 1.7 pp -109.24 21.76 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.519 ' OD1' HD22 ' B' ' 338' ' ' LEU . 0.4 OUTLIER -52.93 -15.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -84.64 -30.14 25.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.541 HD23 ' HB ' ' B' ' 340' ' ' ILE . 3.4 mm? -75.17 -29.9 60.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.775 HG13 ' CB ' ' B' ' 357' ' ' PRO . 3.5 p -92.27 -4.71 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' B' ' 344' ' ' VAL . 61.4 tt0 -36.14 -32.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 142.98 -158.54 27.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 124.7 -161.71 19.12 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . 0.505 ' O ' HD13 ' B' ' 349' ' ' LEU . . . -69.84 68.9 0.6 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.3 tp 175.04 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 3.8 t70 84.2 -175.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.567 HG21 ' HD2' ' B' ' 357' ' ' PRO . 0.6 OUTLIER -132.86 145.58 34.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.871 ' H ' HD13 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -36.66 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' B' ' 352' ' ' LEU . 4.0 t 159.39 -61.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -49.5 152.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' B' ' 338' ' ' LEU . 0.8 OUTLIER 49.88 56.98 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.691 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -39.07 98.98 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.775 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.4 Cg_endo -75.01 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.685 ' CB ' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -122.72 -40.4 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 119.81 93.7 1.45 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 0.3 OUTLIER 85.52 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.038 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.691 HD23 HG12 ' B' ' 356' ' ' VAL . 2.2 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -166.68 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.92 87.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m 69.99 -73.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -158.68 148.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 9' ' ' SER . 54.7 m -64.97 133.05 95.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.048 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.676 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 13.16 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 7' ' ' SER . 44.7 p -101.65 -12.21 18.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 13' ' ' ASP . . . -81.48 -63.34 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.901 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.67 -33.6 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.594 ' H ' HD22 ' A' ' 11' ' ' LEU . 34.6 mt-30 -71.29 -41.81 69.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ALA . 14.5 m-20 -70.06 -30.03 67.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.96 HD12 HD11 ' A' ' 40' ' ' LEU . 2.5 tt -64.55 -67.38 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -31.68 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 3.7 ttm-85 -77.68 -20.77 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.9 m -76.46 -51.52 11.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HG ' HD21 ' B' ' 323' ' ' LEU . 0.3 OUTLIER -46.92 -24.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.941 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 10.1 mptt -59.27 -34.24 72.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -51.1 -176.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.2 Cg_endo -75.03 -35.87 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.606 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 4.8 p 89.35 84.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.618 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 161.74 -61.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.5 Cg_endo -75.03 -99.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 28' ' ' GLN . 45.8 mt-30 -60.71 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.606 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -32.32 -59.98 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.548 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 2.4 pt20 -44.26 -49.89 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -71.16 -22.97 61.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.0 mt-30 -73.34 -53.81 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.836 ' C ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -56.47 -48.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -67.14 -30.78 70.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.9 m-20 -61.41 -56.26 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -71.28 -40.39 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.836 HD22 ' C ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.83 -29.72 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 31' ' ' LEU . 8.3 ptpt -92.53 -47.51 7.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.506 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 14.6 m -75.4 -9.33 58.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' ILE . 1.9 m120 -143.87 101.86 4.94 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.349 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -74.94 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 49.1 tp60 -44.23 -26.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HD12 ' A' ' 14' ' ' LEU . 1.7 tm? -78.02 -49.2 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -52.8 -24.99 10.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -58.69 -39.56 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.12 -59.38 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.707 ' CD2' HD21 ' A' ' 14' ' ' LEU . 3.5 t80 -53.23 -55.42 24.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.675 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -50.01 -43.17 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -61.33 -39.16 89.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 55.3 mm-40 -69.18 -44.23 72.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.723 ' NH1' HD13 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -60.59 -51.24 70.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.709 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 4.7 t -70.69 -22.22 62.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -60.52 -11.47 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' B' ' 340' ' ' ILE . 0.0 OUTLIER -95.06 -31.08 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.931 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.1 OUTLIER -95.47 -49.9 5.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -42.59 -27.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 52' ' ' TYR . . . -71.83 -55.7 7.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' OD1' ' C ' ' A' ' 55' ' ' ASN . 5.0 p30 -83.34 3.77 30.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 52' ' ' TYR . 6.8 mt-30 -114.0 95.28 37.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.57 28.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.29 69.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.834 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.773 ' O ' HG22 ' B' ' 305' ' ' THR . 1.4 t -59.31 -43.16 92.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 304' ' ' THR . 14.3 t 50.89 -176.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.393 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.772 HG11 ' CB ' ' B' ' 317' ' ' GLU . 17.8 m 44.75 32.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.32 -3.55 59.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . -111.49 13.24 27.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.478 ' N ' ' HD2' ' B' ' 309' ' ' ARG . 1.9 mpt_? -134.52 -62.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 6.6 t30 61.56 138.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.704 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.5 OUTLIER 149.3 164.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.937 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' B' ' 316' ' ' LEU . 1.6 tt0 -33.39 -61.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.896 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -55.88 -45.17 78.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.896 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -58.73 -42.12 88.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.563 HD23 ' C ' ' B' ' 311' ' ' ASP . 4.3 mm? -52.27 -43.81 64.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.586 ' O ' ' N ' ' B' ' 320' ' ' VAL . 0.3 OUTLIER -73.54 -51.5 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.772 ' CB ' HG11 ' B' ' 306' ' ' VAL . 3.3 mt-10 -38.96 -38.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.409 ' OE1' ' OG1' ' B' ' 304' ' ' THR . 6.6 tt0 -75.43 -48.14 24.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.859 ' CD2' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.28 -57.62 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' B' ' 316' ' ' LEU . 3.1 m -48.87 -50.54 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 38.9 t -57.66 -50.51 72.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' B' ' 322' ' ' PHE . 0.0 OUTLIER -61.68 -31.15 71.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.713 HD21 ' HG ' ' A' ' 18' ' ' LEU . 3.5 mt -69.71 -41.52 75.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -54.09 50.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -88.68 56.5 4.14 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.673 ' NZ ' HD11 ' B' ' 343' ' ' LEU . 0.7 OUTLIER -45.12 135.71 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 5.2 m-20 -82.17 -43.64 17.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -46.04 -29.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.556 HG23 ' CG ' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -50.7 -32.62 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 0.0 110.357 -179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.0 OUTLIER -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.04 -52.4 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 336' ' ' ARG . . . -80.68 48.61 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -53.97 -22.41 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.439 ' H ' HD12 ' B' ' 334' ' ' LEU . 4.5 mp -75.66 -52.28 10.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.493 ' CB ' ' HD2' ' B' ' 342' ' ' LYS . 30.6 m-20 -75.58 -12.92 60.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.556 ' CG ' HG23 ' B' ' 329' ' ' THR . 0.0 OUTLIER -37.64 -30.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -37.53 -42.69 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.724 HD23 ' HE3' ' A' ' 51' ' ' LYS . 2.9 mt -109.2 -19.86 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 69.07 -55.15 0.57 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.759 ' O ' HD12 ' B' ' 340' ' ' ILE . 1.5 pp -104.63 15.13 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.572 ' HA ' HG12 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -61.03 -9.37 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' B' ' 342' ' ' LYS . 2.4 mppt? -88.17 -19.66 26.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.673 HD11 ' NZ ' ' B' ' 326' ' ' LYS . 1.5 mp -88.64 -37.62 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.79 HG13 ' CB ' ' B' ' 357' ' ' PRO . 7.3 p -78.94 -3.43 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' B' ' 358' ' ' ARG . 0.3 OUTLIER -35.27 -42.52 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 151.85 104.93 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.94 67.29 0.25 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 87.6 41.99 6.26 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 49.69 70.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -162.27 68.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.452 HG11 ' O ' ' B' ' 344' ' ' VAL . 32.6 m -144.46 -173.74 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -97.93 103.04 14.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 352' ' ' LEU . 3.3 m -36.02 -46.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 353' ' ' SER . 0.1 OUTLIER -38.89 149.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 357' ' ' PRO . 4.8 mt 40.57 64.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' B' ' 355' ' ' LEU . 2.7 m -37.03 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.79 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.3 Cg_endo -74.98 5.33 4.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -128.75 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 147.87 67.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 88.39 76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.647 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.6 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 t30 178.57 95.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -92.21 174.89 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' ILE . 63.0 m -98.25 24.62 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 80.87 159.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.51 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.26 142.34 86.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HA ' HD23 ' B' ' 315' ' ' LEU . 18.4 Cg_endo -74.97 -62.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' GLN . 56.3 m -38.83 -38.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -31.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' B' ' 315' ' ' LEU . 0.2 OUTLIER -63.85 -48.08 78.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.15 -39.95 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.93 -63.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.016 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.58 -33.64 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 1.9 ttt85 -75.21 -27.74 59.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.819 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.1 m -69.83 -30.54 68.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.369 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.708 HD21 ' HE2' ' A' ' 44' ' ' PHE . 2.3 mm? -71.82 -30.16 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -52.91 -32.96 48.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.578 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -50.6 -177.84 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.955 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -74.94 -35.43 3.21 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 1.7 m 88.79 83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.596 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.74 -61.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.596 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.02 -103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 72.0 mt-30 -60.77 -49.63 76.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.692 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -32.72 -59.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.539 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 3.3 pt20 -42.85 -49.06 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -72.41 -27.23 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.819 ' HB2' HG23 ' A' ' 17' ' ' THR . 5.7 mt-30 -69.61 -53.3 19.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.922 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -58.18 -52.19 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -62.99 -32.75 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 4.8 m-20 -59.95 -68.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.56 -48.79 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 -28.92 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -86.46 -50.38 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -3.66 20.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.558 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.7 m-80 -152.85 105.89 2.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -69.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 6.1 tp60 -46.16 -25.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 40' ' ' LEU . 2.1 tm? -73.63 -49.91 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -54.08 -31.96 53.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -55.47 -44.5 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -67.06 -54.88 17.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.708 ' HE2' HD21 ' A' ' 18' ' ' LEU . 2.2 t80 -59.1 -55.99 27.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -48.74 -37.94 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.544 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -64.42 -49.53 71.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -74.94 -12.04 60.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.57 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -93.03 -28.96 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.618 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.3 t -98.98 -11.08 21.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 -12.32 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.8 tppm? -86.04 -25.77 25.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.843 ' HB3' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -106.6 -49.8 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.5 OUTLIER -46.91 -34.83 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.23 -52.76 37.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 51' ' ' LYS . 3.8 m-20 -61.81 -48.25 81.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -117.12 80.12 11.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.11 3.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -6.96 8.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 111.003 179.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.426 ' O ' HG22 ' B' ' 304' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.96 -0.439 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.596 HG21 ' HB3' ' B' ' 318' ' ' GLN . 0.5 OUTLIER 69.55 147.43 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.791 ' C ' HG12 ' B' ' 306' ' ' VAL . 0.1 OUTLIER -158.9 91.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.791 HG12 ' C ' ' B' ' 305' ' ' THR . 0.2 OUTLIER 169.39 -28.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.687 ' HB2' HD11 ' A' ' 11' ' ' LEU . 3.0 pt-20 -45.32 151.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 68.39 4.1 35.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.519 ' CB ' ' O ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -107.67 -29.58 9.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.285 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.741 ' HB3' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -118.27 -165.53 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -74.29 171.15 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.54 ' HA ' HD22 ' B' ' 315' ' ' LEU . 41.5 tt0 -43.17 -41.9 3.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.554 ' HE3' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -47.95 -41.22 24.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' B' ' 310' ' ' ASN . . . -63.59 -38.71 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.724 ' CB ' HD13 ' A' ' 11' ' ' LEU . 2.1 mp -56.84 -41.91 78.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.892 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.1 OUTLIER -76.88 -39.88 49.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.514 ' HA ' HG22 ' B' ' 320' ' ' VAL . 2.9 mt-10 -54.9 -31.64 60.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.756 ' CD ' HG13 ' B' ' 306' ' ' VAL . 0.4 OUTLIER -75.3 -52.51 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.849 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -68.0 -55.21 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.892 HG13 ' O ' ' B' ' 316' ' ' LEU . 4.1 m -51.19 -39.09 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' B' ' 317' ' ' GLU . 3.1 m -63.93 -51.07 66.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.88 -30.55 71.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.653 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.0 mt -69.18 -48.91 60.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -50.11 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -94.92 47.98 2.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.559 ' HZ1' HD12 ' A' ' 18' ' ' LEU . 2.0 tppp? -42.27 114.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' B' ' 330' ' ' GLU . 0.1 OUTLIER -75.05 -31.95 61.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . 1.5 tp10 -47.28 -23.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.498 HG23 ' HG3' ' B' ' 336' ' ' ARG . 0.8 OUTLIER -59.23 -23.91 62.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' B' ' 327' ' ' ASP . 0.6 OUTLIER -67.3 -33.07 74.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.539 HD23 ' C ' ' B' ' 331' ' ' LEU . 3.4 tt -86.43 -54.39 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.515 ' N ' HD23 ' B' ' 331' ' ' LEU . . . -79.38 55.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -45.67 -24.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . 0.498 ' O ' HD12 ' B' ' 334' ' ' LEU . 4.0 tp -81.09 -52.63 7.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.484 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 79.3 m-20 -60.15 -15.54 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.498 ' HG3' HG23 ' B' ' 329' ' ' THR . 8.8 ttm180 -42.29 -27.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' B' ' 335' ' ' ASP . . . -42.32 -61.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 1.014 HD12 ' OD1' ' B' ' 341' ' ' ASP . 72.3 mt -101.86 -15.64 16.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 75.18 -53.63 2.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.886 ' HB ' HD22 ' B' ' 343' ' ' LEU . 1.8 pp -98.11 19.99 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 1.014 ' OD1' HD12 ' B' ' 338' ' ' LEU . 0.7 OUTLIER -55.1 -18.23 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' B' ' 328' ' ' GLU . 0.3 OUTLIER -82.07 -22.05 36.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.343 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.886 HD22 ' HB ' ' B' ' 340' ' ' ILE . 0.4 OUTLIER -83.23 -43.56 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.745 HG13 ' CB ' ' B' ' 357' ' ' PRO . 2.8 p -73.4 -4.51 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.457 ' CG ' ' HG2' ' B' ' 358' ' ' ARG . 2.5 tt0 -36.08 -45.27 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 161.37 176.33 33.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 171.48 -32.26 0.13 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 137.38 107.25 0.81 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 51.89 93.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.713 ' O ' ' O ' ' B' ' 351' ' ' VAL . 2.9 p-10 178.93 -150.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.713 ' O ' ' O ' ' B' ' 350' ' ' ASP . 3.2 p 49.34 152.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -88.42 22.41 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.615 ' H ' HG22 ' B' ' 351' ' ' VAL . 0.2 OUTLIER 62.64 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' B' ' 352' ' ' LEU . 0.0 OUTLIER -42.42 159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' B' ' 357' ' ' PRO . 1.3 mt 55.55 58.22 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' B' ' 355' ' ' LEU . 3.6 m -38.48 98.72 0.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.745 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.01 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.537 1.809 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.743 ' CB ' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -123.56 -43.42 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.244 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 112.8 81.92 1.13 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.0 OUTLIER 84.7 76.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 -179.962 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.743 HD11 ' CB ' ' B' ' 358' ' ' ARG . 1.7 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 177.17 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 57.23 160.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.25 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -142.65 -148.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -165.27 153.31 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 9' ' ' SER . 7.4 m -67.63 131.35 92.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.669 ' C ' HD21 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 12.44 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 7' ' ' SER . 3.3 m -101.52 -10.25 20.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -83.7 -62.76 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.893 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.48 -33.96 1.23 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.6 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mt-30 -68.87 -40.32 79.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 10' ' ' ALA . 38.9 m-20 -71.4 -29.25 64.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.888 HD23 ' HG ' ' B' ' 319' ' ' LEU . 12.1 tp -63.83 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.055 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.79 -31.31 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 20.2 ttm180 -75.77 -21.3 57.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 29' ' ' GLN . 1.3 m -76.66 -50.7 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.74 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.0 mm? -48.97 -29.05 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 2.0 mptm? -52.78 -35.21 56.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.675 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -52.23 -172.48 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.675 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.537 1.809 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.61 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 3.2 t 85.65 74.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.623 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 172.07 -61.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.0 -95.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 28' ' ' GLN . 28.8 mt-30 -58.67 -52.96 63.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.732 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -28.35 -62.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.552 ' CG ' ' N ' ' A' ' 28' ' ' GLN . 1.7 pt20 -40.74 -49.43 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' GLN . 0.4 OUTLIER -74.61 -31.27 61.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.723 ' CB ' HG23 ' A' ' 17' ' ' THR . 7.6 mt-30 -65.7 -52.55 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -58.94 -54.64 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.14 -34.25 74.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLN . 10.9 m-20 -60.17 -68.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.67 -50.74 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' A' ' 41' ' ' MET . 1.7 mt -50.76 -29.79 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 15.6 mttt -91.71 -29.55 16.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' ASN . 1.3 t -79.95 -9.79 59.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.589 ' CG ' ' HB2' ' A' ' 10' ' ' ALA . 15.1 m-80 -159.44 109.16 1.5 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' MET . 18.3 Cg_endo -75.03 -66.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB3' ' CG1' ' A' ' 6' ' ' ILE . 0.6 OUTLIER -47.17 -23.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.7 tm? -79.16 -50.32 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.71 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -49.72 -24.96 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.572 ' N ' ' HG3' ' A' ' 41' ' ' MET . . . -54.1 -35.06 61.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -68.71 -60.62 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.689 ' CD2' HD11 ' A' ' 14' ' ' LEU . 6.5 t80 -60.9 -54.86 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG22 ' HA ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -42.89 -48.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.955 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -61.44 -40.76 95.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.831 ' CD ' HG13 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.536 ' O ' ' CZ ' ' A' ' 52' ' ' TYR . 3.6 mtm180 -67.74 -50.17 58.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.632 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.02 -27.83 69.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.73 -8.43 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.677 ' CE ' HD22 ' B' ' 338' ' ' LEU . 0.1 OUTLIER -93.79 -35.41 12.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.794 ' CG ' HD12 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -94.98 -42.24 8.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -52.48 -32.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.6 65.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.0 -34.84 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.7 pp0? -114.18 92.96 28.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 89.44 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -120.48 59.81 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.606 HG23 ' N ' ' B' ' 305' ' ' THR . 1.3 t -66.04 -167.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.606 ' N ' HG23 ' B' ' 304' ' ' THR . 0.2 OUTLIER -146.4 126.55 13.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.497 HG12 ' N ' ' B' ' 307' ' ' GLU . 40.9 t 40.07 -112.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . 0.52 ' OE1' HG21 ' B' ' 304' ' ' THR . 0.2 OUTLIER 74.7 135.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 69.52 -57.7 0.67 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' B' ' 306' ' ' VAL . 0.0 OUTLIER -45.21 -59.05 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.561 ' CB ' ' HB2' ' B' ' 314' ' ' ALA . 0.1 OUTLIER -69.97 -70.3 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' B' ' 314' ' ' ALA . 0.3 OUTLIER 171.62 -173.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.699 ' HA ' HD23 ' B' ' 315' ' ' LEU . 0.6 OUTLIER -40.7 -59.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' B' ' 316' ' ' LEU . 0.0 OUTLIER -42.31 -42.25 3.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' B' ' 311' ' ' ASP . . . -56.92 -41.73 78.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.699 HD23 ' HA ' ' B' ' 312' ' ' GLU . 0.9 OUTLIER -62.32 -35.39 78.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.841 ' O ' HG23 ' B' ' 320' ' ' VAL . 0.4 OUTLIER -80.01 -27.93 39.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 313' ' ' LYS . 7.5 mt-10 -63.22 -42.31 99.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' B' ' 315' ' ' LEU . 0.0 OUTLIER -73.97 -47.48 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.949 HD22 ' O ' ' B' ' 319' ' ' LEU . 0.0 OUTLIER -64.06 -49.91 70.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 316' ' ' LEU . 84.7 t -58.03 -54.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . . . . . . . . . 22.8 t -53.5 -43.36 68.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.674 ' CZ ' ' NZ ' ' B' ' 326' ' ' LYS . 0.2 OUTLIER -65.89 -30.01 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.74 HD21 ' HG ' ' A' ' 18' ' ' LEU . 6.6 mt -71.78 -46.53 58.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -52.77 58.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.49 44.3 3.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.674 ' NZ ' ' CZ ' ' B' ' 322' ' ' PHE . 7.5 tppt? -42.28 127.01 3.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' B' ' 329' ' ' THR . 0.0 OUTLIER -82.9 -38.85 22.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.14 -24.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' B' ' 336' ' ' ARG . 0.6 OUTLIER -54.24 -27.74 36.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.61 -29.7 59.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 331' ' ' LEU . 0.2 OUTLIER -90.35 -54.14 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -80.18 52.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -47.75 -23.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -52.15 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.761 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 5.4 m-20 -68.78 -15.7 63.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.419 ' HG3' ' CG2' ' B' ' 329' ' ' THR . 60.1 ttt180 -38.73 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -41.98 -62.42 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.677 HD22 ' CE ' ' A' ' 51' ' ' LYS . 7.7 mt -82.66 -28.81 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' B' ' 340' ' ' ILE . . . 70.94 1.35 39.52 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.95 ' HB ' HD12 ' B' ' 343' ' ' LEU . 2.6 pp -154.96 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' B' ' 338' ' ' LEU . 12.5 t70 -60.56 -13.9 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -24.66 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.95 HD12 ' HB ' ' B' ' 340' ' ' ILE . 15.0 mt -82.87 -24.71 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' B' ' 340' ' ' ILE . 1.8 m -99.54 -4.24 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' B' ' 344' ' ' VAL . 0.8 OUTLIER -31.82 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 141.84 -155.5 25.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 170.64 41.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 119.18 30.9 1.49 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 9.0 tp 67.0 81.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 173.96 86.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.559 ' C ' HD13 ' B' ' 352' ' ' LEU . 4.4 m -115.39 -112.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.816 ' H ' HD22 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -136.11 22.52 3.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.425 ' C ' ' O ' ' B' ' 352' ' ' LEU . 1.2 m 37.33 51.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.87 140.84 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 357' ' ' PRO . 0.0 OUTLIER 40.15 76.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.583 HG12 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -37.17 97.89 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.542 ' CB ' HG22 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -74.98 -25.59 11.76 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.759 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -87.67 -30.92 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . . . . . . . . . . . 131.89 -62.99 0.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.652 ' C ' HD22 ' B' ' 361' ' ' LEU . 35.7 t -139.55 91.44 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.8 HD22 ' N ' ' B' ' 361' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -132.19 95.2 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.93 145.9 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p -65.69 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.512 HG13 ' CB ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -159.7 151.1 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' SER . 34.8 m -66.05 130.0 94.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 14.35 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' SER . 71.0 p -101.98 -11.63 18.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' ' CG ' ' A' ' 37' ' ' ASN . . . -82.66 -62.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.911 ' H ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -43.44 -33.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' H ' HD22 ' A' ' 11' ' ' LEU . 44.7 mt-30 -72.26 -40.75 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 10' ' ' ALA . 67.3 m-20 -72.1 -29.1 63.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.907 HD21 ' CD2' ' A' ' 44' ' ' PHE . 0.8 OUTLIER -65.95 -64.98 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 1.2 ttm180 -66.24 -28.97 69.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.641 HG23 ' CB ' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -71.96 -44.78 63.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.994 HD22 HD21 ' B' ' 323' ' ' LEU . 5.9 mt -56.72 -30.01 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' NZ ' ' CE1' ' B' ' 322' ' ' PHE . 4.5 mmpt? -52.6 -28.01 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.706 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.3 p -54.72 -170.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.706 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.5 Cg_endo -74.99 -34.2 4.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.668 ' HA ' ' CB ' ' A' ' 26' ' ' GLN . 1.5 m 83.1 86.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.633 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 160.94 -62.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.633 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -75.04 -96.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLN . 3.5 mt-30 -61.24 -51.04 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.668 ' CB ' ' HA ' ' A' ' 22' ' ' SER . 8.3 tm0? -30.12 -61.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.575 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.9 pt20 -40.83 -50.46 3.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.565 ' N ' ' CG ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -73.93 -27.93 61.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.641 ' CB ' HG23 ' A' ' 17' ' ' THR . 3.4 mm-40 -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 26' ' ' GLN . 1.2 m -63.79 -53.82 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -59.09 -40.01 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 10.4 m-20 -53.81 -68.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -57.07 -55.53 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' A' ' 41' ' ' MET . 0.7 OUTLIER -42.7 -29.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' A' ' 33' ' ' ILE . 13.3 mttm -85.88 -41.6 14.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -75.09 -2.88 29.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 -179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.64 ' HB2' HD22 ' A' ' 40' ' ' LEU . 8.8 m-80 -160.91 108.05 1.28 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' MET . 18.5 Cg_endo -74.92 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.512 ' CB ' HG13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -48.03 -29.47 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.64 HD22 ' HB2' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.65 -35.56 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.659 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -65.17 -33.67 76.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' CG ' ' A' ' 46' ' ' LYS . . . -57.07 -38.6 73.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.47 -61.8 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.907 ' CD2' HD21 ' A' ' 14' ' ' LEU . 7.8 t80 -54.34 -55.01 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.19 -42.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.604 ' CG ' ' O ' ' A' ' 42' ' ' ALA . 1.2 mmpt? -62.24 -35.23 78.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.691 ' HG2' HG23 ' B' ' 320' ' ' VAL . 1.1 mm100 -71.59 -41.12 69.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.085 ' NH1' HD13 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -67.47 -50.41 59.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.666 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 1.8 t -65.99 -26.94 67.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.15 -9.49 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.789 ' HG2' HD11 ' B' ' 340' ' ' ILE . 14.8 tppt? -92.65 -23.83 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.801 ' CZ ' HG13 ' B' ' 344' ' ' VAL . 0.0 OUTLIER -108.11 -44.18 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -54.2 -24.77 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.73 9.84 12.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' TYR . 8.5 m-20 -136.53 -46.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.48 113.8 57.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.83 19.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.41 77.67 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.537 0.786 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.524 ' O ' HG22 ' B' ' 304' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.524 HG22 ' O ' ' B' ' 303' ' ' PRO . 5.9 t 44.24 -168.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . 0.443 ' OG1' ' C ' ' B' ' 304' ' ' THR . 1.5 m -156.29 61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.875 HG22 ' HB3' ' B' ' 309' ' ' ARG . 0.4 OUTLIER -172.74 31.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -46.24 127.59 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 86.38 -25.59 7.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.875 ' HB3' HG22 ' B' ' 306' ' ' VAL . 0.0 OUTLIER -96.47 -7.47 34.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.578 0.811 . . . . 0.0 110.272 -179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' B' ' 309' ' ' ARG . 1.9 t30 -35.48 156.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.873 ' N ' ' HB3' ' B' ' 314' ' ' ALA . 0.2 OUTLIER 156.83 163.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.581 ' O ' HD23 ' B' ' 316' ' ' LEU . 4.5 tt0 -37.36 -60.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.704 ' HZ1' ' HD3' ' B' ' 309' ' ' ARG . 0.5 OUTLIER -64.14 -28.82 70.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.873 ' HB3' ' N ' ' B' ' 311' ' ' ASP . . . -75.29 -32.43 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' B' ' 311' ' ' ASP . 4.5 mm? -60.04 -61.04 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.984 ' O ' HG12 ' B' ' 320' ' ' VAL . 0.2 OUTLIER -60.75 -49.51 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' B' ' 313' ' ' LYS . 37.8 mm-40 -44.99 -41.65 7.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' B' ' 322' ' ' PHE . 16.3 tp60 -67.27 -42.31 84.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.818 HD13 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.24 -57.95 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.984 HG12 ' O ' ' B' ' 316' ' ' LEU . 0.4 OUTLIER -56.84 -40.69 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 22.3 t -64.39 -41.11 96.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.545 ' CE1' ' NZ ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -72.22 -30.18 64.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 1.085 HD13 ' NH1' ' A' ' 48' ' ' ARG . 7.3 mt -67.44 -44.55 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.62 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -87.84 49.72 3.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.531 ' CE ' HD23 ' B' ' 323' ' ' LEU . 0.4 OUTLIER -45.65 121.42 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.352 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -80.86 -31.4 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.08 -24.4 6.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.504 HG23 ' HG2' ' B' ' 336' ' ' ARG . 1.2 m -54.97 -26.47 36.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.41 -44.42 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' B' ' 335' ' ' ASP . . . -79.61 53.5 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -48.09 -23.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.53 -51.76 10.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.501 ' HB2' ' HB1' ' B' ' 332' ' ' ALA . 73.2 m-20 -66.6 -14.83 62.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.504 ' HG2' HG23 ' B' ' 329' ' ' THR . 0.3 OUTLIER -43.58 -25.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 336' ' ' ARG . . . -38.4 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 355' ' ' LEU . 1.7 mt -96.49 -19.99 18.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 85.3 -36.63 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.789 HD11 ' HG2' ' A' ' 51' ' ' LYS . 2.8 pp -124.36 21.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' B' ' 357' ' ' PRO . 0.7 OUTLIER -52.26 -24.19 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.445 ' HE2' ' CB ' ' B' ' 332' ' ' ALA . 0.1 OUTLIER -72.49 -25.5 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' B' ' 340' ' ' ILE . 2.9 mm? -84.7 -26.98 27.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.801 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 2.3 t -82.01 -13.4 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 344' ' ' VAL . 22.6 tt0 -31.77 -44.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 179.0 178.61 48.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -172.03 -81.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . -120.63 -82.93 0.73 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.77 90.82 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.476 ' C ' HG22 ' B' ' 351' ' ' VAL . 2.5 p30 43.09 -154.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.886 HG23 HD23 ' B' ' 361' ' ' LEU . 0.1 OUTLIER -157.75 102.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.545 ' N ' HD23 ' B' ' 352' ' ' LEU . 0.2 OUTLIER 37.65 -103.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.33 -65.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' B' ' 355' ' ' LEU . 0.1 OUTLIER -43.19 153.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.455 ' HB3' HD11 ' B' ' 338' ' ' LEU . 0.3 OUTLIER 39.22 54.56 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.465 HG21 ' H ' ' B' ' 360' ' ' SER . 13.1 m -38.34 109.87 0.52 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.653 ' HD2' HD22 ' B' ' 361' ' ' LEU . 18.4 Cg_endo -75.0 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.984 ' HB3' HD11 ' B' ' 361' ' ' LEU . 0.0 OUTLIER -119.18 -45.61 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 123.08 89.19 0.9 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.465 ' H ' HG21 ' B' ' 356' ' ' VAL . 1.8 t 79.01 67.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.984 HD11 ' HB3' ' B' ' 358' ' ' ARG . 1.2 mp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -146.3 148.82 32.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -44.68 113.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p 43.95 -158.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 179.94 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -151.42 154.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.613 ' H ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -53.45 141.94 41.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -73.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLN . 90.5 p -33.55 -42.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 40' ' ' LEU . . . -39.04 -41.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.034 HD13 HD13 ' B' ' 315' ' ' LEU . 0.2 OUTLIER -53.11 -48.52 67.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.516 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 3.4 pt20 -57.87 -38.05 75.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.6 -34.97 72.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 ' CD1' ' B' ' 319' ' ' LEU . 0.4 OUTLIER -66.71 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.046 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -51.39 -31.6 23.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 14.6 ttm180 -76.03 -29.96 58.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 29' ' ' GLN . 1.4 m -66.95 -38.46 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HG ' HD21 ' B' ' 323' ' ' LEU . 3.6 mm? -68.26 -31.02 70.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 16' ' ' ARG . 8.2 mttt -52.57 -35.72 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -49.95 -179.18 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.049 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 20' ' ' SER . 18.3 Cg_endo -75.0 -34.29 3.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 3.7 p 88.5 83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.598 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.1 OUTLIER 162.78 -61.16 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 18.1 Cg_endo -75.0 -105.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' GLN . 4.4 mm100 -60.12 -46.62 89.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.789 ' O ' HG13 ' A' ' 30' ' ' VAL . 7.0 tm0? -34.61 -59.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -44.11 -44.67 7.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.556 ' N ' ' HG3' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -73.37 -28.0 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.871 ' HB2' HG23 ' A' ' 17' ' ' THR . 7.8 mt-30 -70.88 -44.09 67.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -62.56 -54.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' N ' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -61.07 -34.94 75.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 28' ' ' GLN . 5.3 m-20 -58.64 -69.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.707 ' CD1' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -55.39 -56.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.46 -29.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 6.2 mtmt -88.86 -41.21 12.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' ILE . 4.4 m -75.92 -0.34 21.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' HD13 ' A' ' 40' ' ' LEU . 67.0 m-80 -163.56 114.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' HD11 ' A' ' 6' ' ' ILE . 18.0 Cg_endo -75.04 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' CB ' HG13 ' A' ' 6' ' ' ILE . 3.3 tp60 -51.18 -43.05 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -59.8 -53.55 56.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -49.55 -41.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -58.26 -39.3 78.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' B' ' 316' ' ' LEU . . . -69.08 -56.28 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.672 ' HD2' HD11 ' A' ' 14' ' ' LEU . 2.3 t80 -61.22 -55.77 28.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.661 HD13 ' O ' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -44.53 -49.36 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.706 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -68.23 -28.84 67.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' PHE . 1.2 mm-40 -72.26 -38.04 68.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.892 ' NH2' HD22 ' B' ' 323' ' ' LEU . 0.0 OUTLIER -80.73 -35.1 33.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.67 HG22 ' HA ' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -81.87 -15.69 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -62.72 -8.76 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 1.6 tppm? -90.96 -24.81 20.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.87 ' CD2' HD11 ' B' ' 352' ' ' LEU . 0.0 OUTLIER -107.96 -49.26 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.484 ' HB ' HG23 ' A' ' 49' ' ' THR . 0.4 OUTLIER -44.94 -27.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.01 31.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -72.21 -44.51 62.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 1.2 pp0? -108.51 101.45 43.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.01 25.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.12 61.17 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 303' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' B' ' 304' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 304' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' B' ' 303' ' ' PRO . 0.5 OUTLIER 83.49 151.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.353 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 305' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 40.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 306' ' ' VAL . . . . . 0.842 ' HB ' ' HB1' ' B' ' 314' ' ' ALA . 22.5 m -136.89 11.58 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.07 131.53 46.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 308' ' ' GLY . . . . . . . . . . . . . . . 101.18 -15.3 57.92 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 309' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' B' ' 310' ' ' ASN . 0.0 OUTLIER -111.43 -71.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.787 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 310' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' B' ' 311' ' ' ASP . 1.4 t-20 60.63 130.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.709 ' C ' HD23 ' B' ' 315' ' ' LEU . 5.1 m-20 154.0 155.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 312' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' B' ' 311' ' ' ASP . 13.1 tt0 -30.83 -48.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . 0.969 ' HE2' ' HB2' ' B' ' 314' ' ' ALA . 0.0 OUTLIER -63.02 -54.55 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . 0.969 ' HB2' ' HE2' ' B' ' 313' ' ' LYS . . . -56.75 -33.52 66.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 315' ' ' LEU . . . . . 1.034 HD13 HD13 ' A' ' 11' ' ' LEU . 4.2 mm? -55.2 -57.13 13.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . 0.785 ' O ' HG13 ' B' ' 320' ' ' VAL . 0.0 OUTLIER -70.01 -54.22 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' B' ' 320' ' ' VAL . 61.6 mm-40 -38.81 -34.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 318' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' B' ' 306' ' ' VAL . 11.5 tt0 -71.84 -48.09 48.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 319' ' ' LEU . . . . . 0.752 ' CD1' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -72.5 -48.97 36.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 320' ' ' VAL . . . . . 0.785 HG13 ' O ' ' B' ' 316' ' ' LEU . 1.3 m -58.36 -36.91 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 321' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' B' ' 317' ' ' GLU . 9.2 t -63.43 -53.77 47.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 322' ' ' PHE . . . . . 0.662 ' CG ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.16 -33.84 72.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.892 HD22 ' NH2' ' A' ' 48' ' ' ARG . 6.1 mt -69.57 -42.68 74.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 324' ' ' SER . . . . . . . . . . . . . 1.6 m -53.25 -47.63 68.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -101.21 55.43 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.69 ' HZ1' ' NH2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -43.64 125.3 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -78.15 -35.84 48.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 328' ' ' GLU . . . . . 0.499 ' HB2' ' HZ2' ' B' ' 342' ' ' LYS . 45.3 mm-40 -45.88 -27.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -32.38 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.426 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -31.98 71.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.42 -52.77 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 332' ' ' ALA . . . . . 0.548 ' HB3' ' NZ ' ' B' ' 342' ' ' LYS . . . -80.45 50.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 333' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -48.12 -23.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 334' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -74.42 -47.44 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.465 ' HB3' ' HB1' ' B' ' 332' ' ' ALA . 0.0 OUTLIER -72.03 -15.29 62.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 336' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' B' ' 335' ' ' ASP . 0.0 OUTLIER -37.17 -31.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 337' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' B' ' 335' ' ' ASP . . . -44.77 -55.36 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 338' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.33 -17.5 15.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 339' ' ' GLY . . . . . . . . . . . . . . . 79.31 -46.85 3.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.092 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 340' ' ' ILE . . . . . 0.91 ' HB ' HD23 ' B' ' 343' ' ' LEU . 2.0 pp -108.43 21.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.806 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.492 ' HA ' ' CG1' ' B' ' 344' ' ' VAL . 0.4 OUTLIER -59.52 -13.95 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 342' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' B' ' 343' ' ' LEU . 0.0 OUTLIER -87.51 -5.94 58.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 343' ' ' LEU . . . . . 0.91 HD23 ' HB ' ' B' ' 340' ' ' ILE . 1.8 mm? -101.12 -47.19 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 344' ' ' VAL . . . . . 0.863 ' O ' HG21 ' B' ' 351' ' ' VAL . 1.6 p -61.22 -12.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' B' ' 344' ' ' VAL . 19.1 pt20 -29.29 -43.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 344' ' ' VAL . . . 155.92 -139.59 6.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 176.62 -39.13 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 348' ' ' GLY . . . . . . . . . . . . . . . 164.76 41.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 349' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' B' ' 350' ' ' ASP . 1.6 tp -177.5 -57.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 350' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' B' ' 349' ' ' LEU . 3.8 m-20 156.88 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 351' ' ' VAL . . . . . 0.863 HG21 ' O ' ' B' ' 344' ' ' VAL . 0.0 OUTLIER -140.73 -179.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 352' ' ' LEU . . . . . 0.87 HD11 ' CD2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -90.91 9.7 29.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 353' ' ' SER . . . . . 0.557 ' CB ' ' HG3' ' B' ' 357' ' ' PRO . 33.9 t -81.03 148.27 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 354' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -113.71 -17.28 12.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 355' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' B' ' 356' ' ' VAL . 0.2 OUTLIER -90.75 22.16 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 356' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 355' ' ' LEU . 6.7 m 39.17 90.45 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 357' ' ' PRO . . . . . 0.861 ' CB ' HG13 ' B' ' 344' ' ' VAL . 18.2 Cg_endo -75.04 0.47 8.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.742 ' HB3' HD21 ' B' ' 361' ' ' LEU . 0.3 OUTLIER -121.98 -68.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 359' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' B' ' 360' ' ' SER . . . 154.56 60.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 360' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' B' ' 359' ' ' GLY . 1.4 t 93.3 77.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' B' ' 358' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 stop_ save_