data_1puz_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 1puz _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.23 -25.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -69.6 -54.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.94 -32.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -61.63 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -29.0 69.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ILE . 4.1 tttm -61.18 -55.5 31.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.567 HD13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.08 -49.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 mtt180 -75.06 -57.44 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.91 -27.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.52 -47.14 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.42 HG21 ' CE1' ' A' ' 27' ' ' PHE . 23.6 p -62.57 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 63.87 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -166.49 -149.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 37.76 3.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -137.79 107.33 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' ASP . 36.3 tp -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.24 -48.74 17.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 6.1 tp -61.46 -29.49 70.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.0 t70 -73.01 -32.39 65.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.93 -48.39 24.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 14.7 mt -44.86 -62.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 26.7 m-85 -42.13 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.94 -61.51 2.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -48.13 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.655 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.51 -59.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.66 -58.31 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -47.26 -24.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -46.3 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' HIS . 1.1 mm-40 -85.22 -69.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' MET . 83.0 t80 -39.61 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.62 82.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' GLU . 23.8 m80 -86.01 -40.88 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 46' ' ' PHE . 79.9 mt -44.65 111.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -76.03 169.35 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 5.1 m-20 -42.9 -54.45 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -54.83 -55.88 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.21 -43.63 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 12.5 mt -52.42 -28.25 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.4 mm-40 -67.69 -45.82 74.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.655 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -45.7 -41.23 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.514 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 44.5 t -63.38 -32.0 73.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' CB ' ' CD2' ' A' ' 72' ' ' LEU . 5.3 mt-10 -67.13 -44.1 80.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.19 -44.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 46' ' ' PHE . 81.0 mt -59.22 -37.69 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.8 mm-40 -39.1 -38.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.29 156.18 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.35 174.86 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 2.9 m-20 -68.37 -53.37 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.05 -58.9 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.31 -48.25 62.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.47 -60.58 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 23' ' ' LEU . 4.9 tp -50.63 -62.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -48.02 -46.37 33.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.9 mt -47.36 -63.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 mt -49.6 -47.98 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -59.38 -28.13 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.98 25.22 6.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -84.79 -81.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.602 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -66.01 175.19 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.51 172.34 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 t -124.48 120.83 33.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -92.63 36.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 tptt -152.38 126.11 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.07 -6.51 88.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -14.54 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.511 ' CD2' ' CB ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -98.3 -21.99 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -44.87 -48.5 29.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.97 -46.11 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.407 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 1.9 tpp -57.07 -34.58 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.555 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 5.0 mt -64.9 -46.27 82.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.69 -54.9 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' MET . 14.5 ptpt -65.15 -58.53 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.583 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 50.9 mt -52.13 -67.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.8 tmm_? -40.0 -34.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -56.04 -67.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -40.4 -40.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mt -55.62 -51.27 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -50.22 -42.85 52.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -51.28 -56.86 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -44.1 -43.43 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -53.14 -45.96 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.581 HD12 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.92 -53.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -76.32 -51.67 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.27 -23.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.19 -46.61 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.635 HG23 ' CE1' ' A' ' 27' ' ' PHE . 22.0 p -60.89 -166.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 46.57 -175.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 2.3 ttt180 53.58 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' CD2' ' A' ' 20' ' ' LEU . . . 142.58 -55.22 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.494 HD23 ' CG ' ' A' ' 55' ' ' GLN . 1.6 mm? -143.24 142.43 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.43 -70.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -39.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -55.06 -56.46 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -45.84 -35.47 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.5 mt -75.45 -55.73 5.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 16.0 mt -38.94 -58.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.635 ' CE1' HG23 ' A' ' 16' ' ' THR . 45.9 m-85 -47.47 -42.95 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -42.22 -50.41 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -85.38 -58.08 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -38.23 -33.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' PHE . 29.4 mtp -80.64 -56.44 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -46.71 -24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -91.82 -49.57 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 2.7 mp0 -88.52 -71.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 11.4 t80 -42.33 -22.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 14.0 pt-20 -34.19 -49.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.53 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -158.4 49.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.641 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 46' ' ' PHE . 41.5 mt -57.1 130.17 44.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.9 m -75.35 -175.16 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.23 -58.44 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -57.12 -32.86 66.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -50.65 60.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -48.99 -49.47 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.35 -58.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -53.75 -52.27 60.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -48.66 -53.0 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -61.78 -28.81 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.051 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -77.07 -40.53 45.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -76.62 -46.94 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 72.8 mt -55.27 -19.12 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.6 mm-40 -37.0 -35.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CD2' HD12 ' A' ' 60' ' ' LEU . 1.6 m-85 -85.6 153.02 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.54 174.22 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -51.92 -63.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.494 ' CG ' HD23 ' A' ' 20' ' ' LEU . 4.0 tm0? -42.81 -61.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -54.68 -45.37 73.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.14 -60.63 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 23' ' ' LEU . 4.0 tp -47.02 -61.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -46.01 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.6 mt -53.28 -60.93 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.3 mt -47.98 -48.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -59.87 -29.98 68.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.04 12.55 17.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -80.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.605 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -63.21 164.13 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -117.0 167.9 10.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.5 t -116.43 122.41 44.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -80.97 7.67 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 117.68 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.48 -2.44 42.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -80.92 -2.13 46.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.564 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 4.7 mt -108.84 -31.59 7.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.39 -49.96 9.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -75.07 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 38.2 mmt -54.95 -26.15 34.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.1 mt -72.39 -35.5 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.05 -55.97 20.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -57.12 -60.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.58 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 13.7 mt -50.41 -52.59 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ttt85 -46.81 -44.61 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -62.66 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ASP . 5.6 m-20 -40.64 -38.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.2 -52.73 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.75 -49.31 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -51.23 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -42.32 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLN . 5.0 ttpt -55.95 -42.08 75.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -47.95 -52.51 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -73.53 -40.52 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.65 -16.64 63.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -85.44 -44.53 12.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 27' ' ' PHE . 7.6 p -57.53 -167.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -179.85 145.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 ptm180 -85.16 42.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -50.79 -30.28 21.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 55' ' ' GLN . 1.6 mm? -130.55 164.85 23.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.96 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -43.48 -45.21 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.06 -57.75 8.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 15.9 t0 -46.03 -39.39 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.0 mt -74.95 -44.43 48.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 57.6 mt -44.87 -61.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 21.4 m-85 -53.56 -18.67 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -69.38 -54.24 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.34 -48.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 7.7 t80 -38.8 -66.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG2' ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -48.5 -53.35 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -44.85 -27.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -50.62 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 1.1 mp0 -76.25 -73.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -41.25 -25.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.5 tp10 -34.58 -61.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.86 54.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.599 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD22 ' CE1' ' A' ' 46' ' ' PHE . 41.4 mt -55.68 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -162.48 156.1 20.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -39.05 -50.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -50.16 -56.2 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.19 -41.18 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -46.53 -43.64 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -59.59 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 75' ' ' MET . 8.1 mt-10 -57.15 -61.48 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.51 -61.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -46.54 -26.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.63 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.493 ' CD1' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -44.37 -33.0 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 16' ' ' THR . 42.4 mt -68.17 -46.35 70.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLU . 3.2 mm-40 -38.45 -34.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.4 m-85 -70.96 152.32 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 171.93 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -63.16 -59.95 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.439 ' N ' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -42.76 -56.65 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.42 -42.4 99.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.61 -61.17 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.4 -61.73 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.01 -44.54 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD12 ' CE1' ' A' ' 52' ' ' PHE . 3.3 mt -54.0 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -47.35 -49.42 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.37 -33.71 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.59 27.61 4.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -84.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -53.8 176.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.88 167.87 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -133.07 121.24 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.03 35.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 71.0 mmtt -145.23 119.05 9.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.49 -4.86 89.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -20.11 53.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.786 . . . . 0.0 109.631 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 69' ' ' LYS . 1.7 mt -93.35 -24.16 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.2 -48.92 8.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.03 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.8 -30.23 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 6.4 mt -67.28 -31.86 72.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' PRO . 5.1 mm-40 -71.44 -53.45 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -65.21 -42.91 93.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 75' ' ' MET . 66.4 mt -63.58 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.71 -22.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.4 -71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' ALA . 5.3 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 7' ' ' ILE . 2.8 p30 -43.63 -27.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 70.3 mt -65.79 -49.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.69 -24.76 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -58.53 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -44.94 -38.56 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ILE . 35.5 mmtt -53.84 -53.07 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -40.26 -50.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.26 -53.75 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -44.56 -25.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -51.45 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 20.9 p -56.45 -166.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 59.51 165.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.2 mtp180 67.42 176.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . 73.58 -55.01 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 3.7 mp -143.35 136.86 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.22 -63.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.2 -41.95 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.524 HD13 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.38 -53.01 50.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -49.02 -37.69 21.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -72.46 -48.99 36.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 30.6 mt -46.67 -52.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.4 m-85 -53.95 -40.3 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.56 -49.29 5.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -85.19 -55.59 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.76 -59.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.58 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.1 -25.23 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -92.29 -57.89 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' C ' ' N ' ' A' ' 36' ' ' GLU . 31.9 mm-40 -75.63 -74.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t80 -44.96 -19.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 7.9 pt-20 -34.2 -48.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -157.94 48.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.717 ' CD1' ' CE2' ' A' ' 46' ' ' PHE . 41.5 mt -59.49 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.7 t -163.07 -176.23 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' N ' ' OG ' ' A' ' 39' ' ' SER . 15.7 t0 -52.3 -61.23 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -38.91 -56.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.3 -43.76 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -46.76 -45.38 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -59.49 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 46.7 mm-40 -61.18 -58.45 8.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.717 ' CE2' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -45.91 -54.63 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.5 t -62.77 -20.63 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -84.59 -41.57 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.487 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.6 -48.58 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' N ' HG21 ' A' ' 49' ' ' ILE . 56.8 mt -49.76 -24.04 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.1 -34.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -83.52 154.34 23.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 169.35 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 5.1 m-20 -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.435 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -54.08 -56.37 18.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.56 -41.08 98.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 23' ' ' LEU . 54.8 tp -52.52 -61.18 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 3.5 tp -47.37 -62.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.79 -45.75 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -54.99 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.9 mt -48.69 -47.26 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -58.45 -36.08 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.4 21.36 5.53 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -86.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 176.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.64 168.61 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -121.76 120.9 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -91.19 33.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 80.8 mttt -151.71 120.39 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.51 -3.65 78.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -86.49 -7.37 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 4.4 mt -105.0 -33.63 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -42.05 -49.92 11.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 83.9 mmm -53.55 -21.43 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.3 mt -75.34 -41.08 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.39 -51.48 68.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -63.24 -58.61 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.483 HD12 ' CD1' ' A' ' 49' ' ' ILE . 65.5 mt -52.22 -50.82 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -46.23 -48.01 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -57.78 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -49.86 -47.23 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -54.37 -50.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.36 -50.86 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -46.23 79.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -52.68 -43.73 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.5 tptt -55.38 -47.58 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -39.78 -54.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -74.58 -48.02 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -51.12 -22.52 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.4 mm-40 -85.08 -48.93 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.552 HG23 ' CE1' ' A' ' 27' ' ' PHE . 5.1 p -56.26 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 175.31 161.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CA ' ' HB2' ' A' ' 24' ' ' ASP . 25.5 ptt180 -96.14 20.09 10.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -36.94 -67.5 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CA ' ' A' ' 55' ' ' GLN . 4.2 mm? -90.91 130.44 36.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' LEU . 49.7 tp -39.64 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -38.89 -48.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.47 -55.88 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CA ' ' A' ' 18' ' ' ARG . 24.2 t0 -47.51 -39.87 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 6.4 mt -74.29 -46.28 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 51.9 mt -44.39 -61.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 28.4 m-85 -50.29 -21.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -60.06 -60.25 8.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -85.58 -47.06 10.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 12.1 t80 -38.74 -66.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.31 -46.56 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.56 -29.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -94.87 -45.21 7.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -78.02 -74.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CB ' ' CG ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -42.32 -25.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -34.98 -57.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.88 50.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 46' ' ' PHE . 36.5 mt -48.2 140.24 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -74.2 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.09 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -65.08 -42.86 93.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 47.9 mt-10 -62.26 -42.7 99.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 12' ' ' ILE . 11.8 mt -48.29 -55.26 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.5 -53.13 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 5.7 mm-40 -53.78 -57.8 9.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -42.61 -42.78 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -36.87 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.9 mt-10 -72.47 -39.92 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 75' ' ' MET . 0.1 OUTLIER -75.57 -49.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.4 mt -50.99 -23.46 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.8 mm-40 -37.72 -34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 3.3 m-85 -81.66 149.06 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -85.06 -178.74 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -56.06 -62.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.461 ' CA ' HD21 ' A' ' 20' ' ' LEU . 8.7 tm0? -44.9 -59.9 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 36.7 mt-10 -56.55 -55.02 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 23' ' ' LEU . 46.6 tp -47.19 -59.43 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 tp -46.51 -59.46 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -47.66 -48.26 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.613 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 mt -50.85 -44.41 59.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.13 -54.9 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.65 -32.4 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.79 27.46 3.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.31 -85.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.608 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.16 167.78 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -127.67 172.7 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.39 122.57 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 23.06 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -136.83 117.56 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.02 -6.42 56.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.15 -4.3 46.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' ' OG1' ' A' ' 67' ' ' THR . 1.5 mt -105.56 -33.89 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.525 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -37.1 -50.83 2.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.799 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.512 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -48.85 -22.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 8.1 mt -75.46 -40.42 57.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 3.6 mm-40 -60.95 -50.65 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.444 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.31 -48.98 68.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.512 ' CG1' ' O ' ' A' ' 75' ' ' MET . 59.7 mt -61.71 -67.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -43.68 -25.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.86 -71.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -40.45 -46.36 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.0 -53.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.23 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.65 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.46 -51.3 70.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -50.22 -35.91 28.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -50.84 -49.18 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' CG ' ' HE3' ' A' ' 31' ' ' MET . 8.3 mtp180 -74.92 -40.93 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.14 -18.68 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -85.12 -55.56 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 47.4 p -44.48 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER 68.49 113.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.77 68.32 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.78 -8.9 43.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 58' ' ' LEU . 3.9 mp -129.31 162.7 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.56 -66.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.04 -38.6 38.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -53.74 -58.02 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' CA ' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -46.17 -35.29 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' CD2' ' OD1' ' A' ' 24' ' ' ASP . 6.8 mt -75.34 -43.68 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 58' ' ' LEU . 44.4 mt -52.85 -62.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 23' ' ' LEU . 18.6 m-85 -57.31 -40.65 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.21 -55.23 4.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -85.08 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 3.7 t80 -39.81 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' PHE . 14.1 mtp -85.36 -57.9 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -24.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' ' CB ' ' A' ' 82' ' ' ALA . 1.8 ttpt -93.68 -45.12 7.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 71.1 mm-40 -91.99 -70.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 31' ' ' MET . 38.5 t80 -38.47 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.7 tt0 -35.3 -53.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.68 49.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 30.0 mt -46.48 128.62 10.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.73 163.51 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.22 -53.74 54.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -64.97 -39.71 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.67 -39.98 95.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -50.89 -27.01 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -64.03 -51.62 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 78' ' ' LYS . 49.8 mt-10 -54.17 -52.89 59.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -52.35 -61.53 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' LEU . 14.1 t -47.23 -65.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 3.4 tp10 -39.32 -50.94 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -67.09 -40.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' SER . 25.5 mt -55.14 -28.58 53.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -36.76 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.659 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 5.0 m-85 -84.32 149.28 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.2 -178.79 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -54.64 -62.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.5 -58.24 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 6.6 mm-40 -52.72 -51.72 59.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 23' ' ' LEU . 11.4 tp -56.61 -59.74 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 26' ' ' ILE . 3.6 tp -47.49 -63.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -47.83 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.659 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 4.9 mt -52.52 -62.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -50.2 -47.29 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -59.26 -23.1 62.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 98.99 27.64 8.18 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -82.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.41 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -63.08 158.89 18.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.59 174.58 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -128.23 124.9 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -87.42 35.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -142.66 117.7 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.31 5.36 55.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.4 ' O ' ' HG3' ' A' ' 75' ' ' MET . 17.7 m80 -82.36 -26.38 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.609 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 5.3 mt -94.3 -27.58 16.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.75 -50.09 3.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.06 -32.35 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LYS . 52.6 mtt -69.66 -52.27 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.71 -31.09 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.81 -42.21 74.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -65.44 -30.65 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.51 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 10.9 mm -60.47 -61.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -40.92 -44.5 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.72 -59.76 2.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.439 ' CB ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 17.6 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -40.66 -39.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mt -57.6 -52.96 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.09 -41.13 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -54.76 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 -39.58 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -45.42 72.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -45.32 -51.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 mtp180 -75.5 -43.3 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.17 -24.19 39.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -85.11 -46.11 11.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.569 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 17.5 p -60.55 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' THR . 5.4 mtp180 52.08 173.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 61.22 137.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . 108.21 -57.45 0.43 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 58' ' ' LEU . 2.3 mp -141.86 130.84 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.49 -70.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -42.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.13 -57.04 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -39.0 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.99 -50.75 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 42.1 mt -40.82 -56.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 23.2 m-85 -49.42 -44.13 45.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -42.71 -43.81 5.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -89.13 -46.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -54.11 -30.59 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.5 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -82.49 -38.09 24.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.54 -28.01 29.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -51.41 4.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' GLU . 14.5 mm-40 -76.13 -78.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 12' ' ' ILE . 16.0 t80 -40.36 -26.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLU . 11.4 tt0 -36.2 -63.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -144.81 57.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.544 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 46' ' ' PHE . 68.2 mt -59.52 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -161.79 160.18 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.1 t70 -37.37 -59.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.43 75.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CG ' HD23 ' A' ' 38' ' ' LEU . 1.3 tt0 -60.65 -30.43 69.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' SER . 15.7 mt -69.4 -45.89 68.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 p -49.74 -59.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 75' ' ' MET . 10.7 pt-20 -54.5 -48.33 72.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -59.53 -59.02 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 t -59.92 -19.37 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 4.1 mt-10 -85.7 -44.64 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.48 HD11 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.16 -44.64 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 12' ' ' ILE . 6.9 mt -55.84 -19.05 10.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -37.76 -38.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -84.64 155.59 21.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.23 173.63 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.423 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 30.0 m-20 -60.42 -56.71 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.32 -39.31 93.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' CD2' HD11 ' A' ' 23' ' ' LEU . 45.5 tp -54.04 -61.53 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 23' ' ' LEU . 2.9 tp -47.51 -59.86 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -49.31 -45.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -52.99 -44.16 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -61.47 -57.32 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.93 -24.47 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.77 29.78 6.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.87 -84.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 t -65.74 175.07 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -116.96 165.35 13.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -122.63 123.03 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.45 36.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 tptt -149.66 119.59 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.82 -10.76 86.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 3.33 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 76' ' ' LEU . 18.6 mt -113.91 -39.17 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.52 -51.39 3.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.0 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.499 ' CG ' ' HB2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -48.9 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -75.34 -45.9 36.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.08 -47.56 65.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -61.53 -60.96 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 49' ' ' ILE . 33.4 mt -51.69 -58.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.02 -38.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -59.16 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -44.88 -31.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.38 -58.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.24 -38.89 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.19 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -53.74 -59.09 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -39.15 -45.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' O ' ' OG1' ' A' ' 16' ' ' THR . 6.0 mtp180 -75.72 -59.64 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -27.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 13' ' ' ARG . 1.8 mm-40 -82.0 -57.79 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 13.6 p -45.3 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -36.08 123.81 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -150.9 -153.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.69 -39.51 98.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -67.38 110.49 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASP . 15.8 tp -65.48 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -47.74 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 27' ' ' PHE . 4.8 tp -52.02 -35.15 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 t70 -64.25 -27.02 68.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.72 -58.87 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' CD1' ' A' ' 23' ' ' LEU . 4.6 mt -40.74 -62.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 30.4 m-85 -40.05 -48.0 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.96 -49.68 6.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.2 -56.0 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -37.47 -51.39 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -66.1 -59.56 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.51 -24.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -94.12 -43.81 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -92.64 -72.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' MET . 24.6 t80 -38.31 -32.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -46.23 75.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t-80 -83.93 -33.76 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD11 ' CE2' ' A' ' 46' ' ' PHE . 92.5 mt -51.12 -178.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -163.71 -174.71 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.487 ' N ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -47.73 -46.71 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.27 -67.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CG ' HD21 ' A' ' 38' ' ' LEU . 2.6 mm-40 -54.39 -43.0 71.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -42.42 -43.89 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -57.05 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 29.7 mm-40 -61.15 -50.72 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -40.32 -52.99 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -58.92 -40.3 84.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . 13.7 mt-10 -60.56 -44.58 96.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -74.65 -54.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 46' ' ' PHE . 30.4 mt -43.61 -35.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.9 mt-10 -35.99 -39.81 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.6 m-85 -64.29 145.71 55.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' NE2' ' HG3' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -71.91 174.13 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' HD21 ' A' ' 23' ' ' LEU . 2.8 m-20 -70.42 -47.63 59.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.03 -60.54 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 53' ' ' GLN . 16.9 mm-40 -59.6 -50.92 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 tp -43.58 -61.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 20' ' ' LEU . 6.3 tp -45.63 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -48.68 -46.92 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.3 mt -53.33 -52.42 59.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.2 mm -48.01 -58.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.38 -34.29 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.36 26.01 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -84.23 -85.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.615 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.2 m -56.06 167.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -125.86 173.73 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 t -128.55 122.41 30.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.66 38.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.491 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 17.4 mttt -138.14 117.89 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -13.03 74.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -18.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 18.3 mt -98.12 -34.99 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -38.45 -49.92 3.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.5 Cg_endo -74.97 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.505 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 96.3 mmm -48.85 -24.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 9.2 mt -75.71 -36.06 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' PRO . 3.2 mm-40 -61.42 -51.76 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 1.2 ptpm? -64.06 -54.11 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.561 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 36.0 mt -56.54 -61.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.6 ttt180 -47.43 -32.22 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -49.7 -61.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.77 -38.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.93 -55.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.89 -43.77 4.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -65.49 -42.37 92.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ILE . 9.9 tptm -50.14 -53.77 25.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -39.63 -51.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 mtt180 -75.53 -50.42 15.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.09 -30.51 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -78.92 -47.97 15.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.588 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 31.5 p -60.45 -161.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER 54.98 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 8.0 ttt85 70.36 120.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -61.49 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 58' ' ' LEU . 1.3 mp -136.6 143.6 43.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.8 tp -64.17 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -43.21 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -51.13 -54.82 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.54 -37.42 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ILE . 6.9 mt -75.63 -51.25 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 55.4 mt -38.36 -62.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 44.6 m-85 -41.35 -55.0 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.03 -46.7 5.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -85.13 -62.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CE2' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -42.27 -45.71 4.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -65.32 -37.24 86.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 31' ' ' MET . 0.6 OUTLIER -65.78 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -99.25 -3.24 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 1.1 mm-40 -126.65 -77.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' MET . 10.7 t80 -48.17 -32.18 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.14 -9.15 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -127.03 -41.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 32.0 mt -43.7 114.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -75.77 174.59 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 1.2 t0 -44.28 -62.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -46.48 -57.66 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.7 mt-10 -53.44 -50.1 65.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' O ' ' OG ' ' A' ' 47' ' ' SER . 18.5 mt -44.71 -30.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 t -60.5 -44.28 96.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 6.9 mm-40 -63.41 -59.59 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CZ ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -40.97 -48.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.46 -39.71 23.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.1 tp10 -63.74 -68.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.74 -43.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 56.2 mt -51.45 -36.01 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 2.1 mm-40 -37.65 -34.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -78.78 148.74 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 174.51 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 9.3 m-20 -59.45 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -56.58 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.7 -50.5 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.1 tp -48.23 -61.06 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 20' ' ' LEU . 6.7 tp -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -49.29 -47.84 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 3.8 mt -45.17 -61.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.47 -44.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.27 -34.85 77.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.68 14.72 8.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -69.06 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.08 174.53 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -123.58 168.35 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 t -109.69 120.86 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -90.26 36.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -161.97 129.44 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.89 -6.59 88.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -79.53 -3.67 47.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 48' ' ' GLU . 1.8 mt -111.14 -25.52 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -43.19 -48.04 15.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.99 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 mpp? -53.21 -34.97 59.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 5.1 mt -64.28 -41.26 96.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -57.25 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CE ' ' SD ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -64.63 -53.01 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CG1' ' O ' ' A' ' 75' ' ' MET . 54.3 mt -53.41 -66.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 3.5 ttm180 -41.01 -37.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.9 -62.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ALA . 27.8 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -49.71 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -47.25 -49.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -51.37 -49.95 60.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -41.1 56.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -42.19 70.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.8 tttp -55.12 -46.8 75.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -39.89 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.465 ' CG ' ' HE2' ' A' ' 31' ' ' MET . 0.0 OUTLIER -74.87 -44.07 50.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -55.77 -22.14 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.37 -48.97 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 1.2 p -52.54 -59.29 4.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -37.01 135.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER 81.98 155.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.26 -62.37 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD22 ' CG ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -152.58 139.91 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 0.728 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' ASP . 30.9 tp -54.87 -72.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.96 -49.44 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.529 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -49.04 -45.7 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 6.3 t0 -55.29 -34.54 64.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.01 -50.66 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 6.6 mt -50.06 -57.98 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.6 m-85 -45.55 -45.88 13.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.39 -47.3 5.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -85.21 -57.83 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 6.6 t80 -38.38 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.465 ' HE2' ' CG ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -85.42 -47.05 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.37 -28.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.15 -55.01 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 36' ' ' GLU . 12.3 mm-40 -74.64 -77.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 10.9 t80 -40.41 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 4.3 tm-20 -34.5 -53.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -155.18 53.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.655 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' A' ' 46' ' ' PHE . 53.9 mt -57.79 129.74 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -75.4 171.83 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.72 -51.72 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -64.13 -44.35 92.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 1.2 mm-40 -59.26 -28.32 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.54 -17.2 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -75.27 -60.51 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 2.6 pm0 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -55.95 -56.86 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -60.55 -19.68 58.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 3.3 mt-10 -85.39 -47.14 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -73.88 -42.43 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.22 -27.22 33.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.36 -34.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.2 153.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.07 163.79 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 5.8 m-20 -52.2 -58.67 5.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.487 ' CG ' HD22 ' A' ' 20' ' ' LEU . 1.4 tm0? -42.4 -58.59 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 23' ' ' LEU . 5.2 tp -44.83 -59.69 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB3' ' CB ' ' A' ' 64' ' ' HIS . . . -48.67 -47.76 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 2.4 mt -52.32 -44.73 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.32 -55.97 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -58.53 -32.92 69.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.48 3.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -81.89 -85.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.591 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.18 167.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -123.37 167.92 13.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 t -126.52 121.12 31.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.19 34.21 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 62.2 mmtt -142.1 115.98 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.98 60.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 75' ' ' MET . 28.3 m-70 -89.3 -3.37 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' LEU . 28.7 mt -109.94 -38.3 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -42.85 -49.14 13.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.06 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 30.4 mmt -57.27 -24.21 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.2 mt -75.91 -29.06 58.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 80' ' ' ARG . 4.1 mm-40 -65.96 -50.17 65.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -62.97 -34.76 78.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.464 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 64.8 mt -70.67 -50.36 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -56.7 -22.2 33.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -56.08 -66.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.45 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.437 ' N ' ' C ' ' A' ' 5' ' ' ASP . 2.7 mp -74.48 -57.15 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -61.1 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -63.82 -47.42 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.4 tttm -43.14 -50.81 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -56.48 -50.1 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -58.62 -54.7 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.96 -41.21 97.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.547 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 71.5 p -55.96 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.4 mmt180 -163.72 144.03 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CB ' ' CG ' ' A' ' 24' ' ' ASP . 43.0 ptt85 -91.06 15.03 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -34.45 -38.86 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.067 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' LEU . 2.1 mm? -125.33 124.33 41.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LEU . 11.6 tp -35.27 -79.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ILE . 2.4 tp10 -37.82 -54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' A' ' 58' ' ' LEU . 4.4 tp -51.91 -49.12 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 55.6 t0 -55.0 -42.36 72.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 4.2 mt -74.07 -43.72 56.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 23' ' ' LEU . 44.8 mt -38.24 -64.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CE2' ' HB ' ' A' ' 16' ' ' THR . 49.0 m-85 -45.03 -38.77 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -43.0 -59.86 3.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.0 mtt85 -87.66 -49.08 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -37.55 -68.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.629 ' O ' ' N ' ' A' ' 35' ' ' PHE . 1.1 ttp -49.82 -53.64 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.1 -28.09 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -98.64 5.72 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' HIS . 3.7 mm-40 -135.29 -72.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -46.9 -37.52 9.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -64.05 -13.61 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' GLU . 73.6 t60 -120.19 -7.84 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 59.0 mt -66.18 -169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.2 m -163.05 164.07 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' SER . 65.7 t0 -37.81 -37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -62.48 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 3.2 mm-40 -53.27 -38.64 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 39' ' ' SER . 3.9 mt -41.8 -40.74 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -64.12 -52.93 56.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.4 mm-40 -57.73 -57.29 13.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -43.26 -61.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -55.77 -19.22 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.976 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -85.45 -43.38 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -76.7 -40.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' CD1' HG12 ' A' ' 12' ' ' ILE . 11.1 mt -60.35 -32.7 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -38.06 -40.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-85 -66.79 154.2 41.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -77.46 174.6 10.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' CB ' HD21 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -66.28 -61.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -42.52 -54.97 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.32 -44.99 93.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -53.97 -55.14 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' A' ' 23' ' ' LEU . 3.3 tp -52.7 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' CB ' ' CB ' ' A' ' 64' ' ' HIS . . . -46.46 -44.17 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -49.07 -63.18 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -50.96 -42.19 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -64.53 -31.29 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 111.21 17.9 8.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.479 ' CB ' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.26 -83.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.593 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 174.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.51 165.17 17.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -122.44 123.07 40.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.8 t0 -89.06 36.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 24.2 mttt -157.07 122.44 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.23 -11.28 81.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.64 -5.47 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.5 mt -103.23 -26.08 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -40.99 -49.93 7.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -74.99 -35.43 3.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 18.6 mmt -69.86 -24.33 63.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.9 mt -74.97 -27.3 60.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.0 -55.81 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 1.1 ptmt -58.01 -41.17 82.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.558 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 46.7 mt -71.83 -41.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 44.2 ttt-85 -64.03 -22.17 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' ALA . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -33.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 9' ' ' LYS . 2.6 mp -60.57 -49.2 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -42.3 -28.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -66.35 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -61.6 -21.37 64.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 14.1 tttt -70.1 -44.53 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.59 HD12 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -46.1 -49.87 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -75.3 -54.26 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -45.84 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -83.6 -52.78 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.54 HG22 ' CD1' ' A' ' 27' ' ' PHE . 6.7 p -52.57 133.62 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 18.0 ttt180 -135.35 156.02 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -88.5 19.04 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -37.16 -31.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.6 mm? -131.39 137.56 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -42.86 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -56.0 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -45.14 -52.11 9.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 65.5 t0 -52.22 -45.88 65.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.9 mt -67.01 -46.86 73.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 58.3 mt -45.06 -61.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CD1' HG22 ' A' ' 16' ' ' THR . 16.3 m-85 -53.32 -16.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -62.4 -61.45 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -86.09 -46.67 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 33.7 t80 -38.07 -34.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -78.39 -45.57 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.93 -23.54 66.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -14.76 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.0 mm-40 -122.31 -76.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' MET . 4.0 t80 -43.25 -25.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -44.64 -50.65 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . 2.7 t-80 -155.32 58.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 46' ' ' PHE . 51.6 mt -59.09 141.48 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.85 171.83 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -57.38 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -60.45 -45.03 95.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -43.0 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.84 -28.43 49.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -59.37 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 1.2 mp0 -57.78 -51.32 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -46.86 -50.77 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -62.83 -19.75 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -83.35 -46.85 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -69.19 -44.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' CD1' HG12 ' A' ' 12' ' ' ILE . 68.3 mt -50.4 -33.14 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -38.62 -34.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 56' ' ' GLU . 2.2 m-85 -80.83 151.28 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.2 174.97 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 4.4 m-20 -50.64 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' HD22 ' A' ' 20' ' ' LEU . 12.7 tt0 -46.44 -60.58 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 3.5 mt-10 -51.55 -48.06 63.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' CD2' HD13 ' A' ' 23' ' ' LEU . 54.9 tp -57.72 -58.79 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 23' ' ' LEU . 5.0 tp -52.87 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -49.08 -43.45 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.536 HD13 ' CE2' ' A' ' 52' ' ' PHE . 4.6 mt -50.62 -63.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -50.48 -47.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -56.5 -34.68 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.81 19.58 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -79.24 -84.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -64.54 164.37 11.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -117.43 166.8 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' THR . 0.8 OUTLIER -128.91 120.26 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.91 35.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.1 mmpt? -136.13 117.49 14.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.01 -14.58 70.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -83.3 3.17 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 45.8 mt -114.85 -39.09 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.534 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.27 -50.22 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.483 ' HG3' ' CD1' ' A' ' 79' ' ' ILE . 2.0 tpp -53.87 -31.7 50.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 4.9 mt -65.97 -45.67 80.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.087 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -56.33 -58.35 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.6 -62.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' A' ' 30' ' ' PHE . 63.0 mt -46.63 -45.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.95 -34.33 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -58.42 -69.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.8 -32.59 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.41 -43.04 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -57.47 12.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -60.5 -35.03 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.59 -27.06 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -75.3 -35.58 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.515 HG21 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -42.5 -52.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.62 -38.09 59.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -20.7 66.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.39 -37.71 19.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 1.3 p -65.11 -168.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 64.18 122.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.18 -153.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.92 52.04 2.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 3.3 mt -146.7 112.34 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLU . 60.7 tp -65.3 -73.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -38.54 -49.76 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 12.4 tp -57.34 -51.75 68.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.13 -36.35 40.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -70.22 -49.15 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 25.9 mt -47.02 -61.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' MET . 19.4 m-85 -44.19 -40.63 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.88 -59.43 3.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.7 mmt180 -84.41 -48.12 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -42.73 -27.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.64 -40.22 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tt0 -63.78 -21.47 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -25.59 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mp0 -117.46 -77.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CD1' HG21 ' A' ' 12' ' ' ILE . 13.4 t80 -41.74 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' MET . 6.4 tt0 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.4 t-160 -155.01 55.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 29.4 mt -57.15 -162.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -160.37 150.74 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.9 -63.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -57.76 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' SER . 13.6 mt-10 -81.88 -14.95 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.8 mt -75.97 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 32.8 t -41.42 -60.26 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -50.05 -48.43 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -62.72 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 33.0 t -66.96 -22.83 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 1.4 tp10 -83.14 -43.91 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -75.17 -38.54 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.8 mt -64.03 -37.25 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -39.78 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -71.81 156.72 39.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 160.02 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' CB ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -53.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.87 -57.04 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.01 -49.09 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 23' ' ' LEU . 8.5 tp -54.6 -55.98 23.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 23' ' ' LEU . 3.3 tp -52.37 -63.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -48.7 -43.46 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.1 mt -50.68 -60.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.56 -47.64 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.54 -26.73 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 106.25 19.24 10.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.19 -85.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.608 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.28 166.65 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.25 171.37 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 t -132.93 122.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.11 34.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 19.8 mttm -147.52 116.91 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.52 89.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -10.88 59.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 mt -97.09 -24.09 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.21 -49.71 8.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -36.39 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' A' ' 45' ' ' GLU . 27.9 mmt -69.54 -22.35 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -74.93 -35.94 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -57.98 6.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -53.57 -56.85 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 49' ' ' ILE . 52.8 mt -55.55 -45.54 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -52.61 -44.3 65.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -59.55 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' ASP . 24.3 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' ASP . 46.3 m-20 -39.74 -47.77 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.9 mp -55.27 -57.79 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.54 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -61.17 -61.19 2.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -29.37 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -59.22 -52.72 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -44.33 -52.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 ttm180 -70.56 -55.75 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -47.3 -39.79 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -58.74 -49.49 77.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.425 HG21 ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.99 168.97 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -163.5 25.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.3 ptm180 37.79 30.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . -37.3 -42.01 0.81 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD2' HD21 ' A' ' 58' ' ' LEU . 5.1 mp -123.79 150.72 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.24 -66.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.77 -40.02 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -58.82 -53.23 60.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -36.78 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.74 -53.5 50.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 30' ' ' PHE . 5.1 mt -50.33 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 14.5 m-85 -48.29 -21.47 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.93 -52.46 3.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -86.21 -70.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -36.42 -45.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.618 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -64.52 -50.9 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.84 -29.05 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.28 -27.66 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.53 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -86.7 -70.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 31' ' ' MET . 34.6 t80 -46.79 -41.98 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -10.3 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -122.55 -8.84 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD13 ' CZ ' ' A' ' 46' ' ' PHE . 38.1 mt -60.27 -171.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.2 m -164.2 169.07 18.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -48.32 -57.82 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -64.9 -34.97 79.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -65.09 -46.6 80.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.8 mt -40.22 -38.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -59.17 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' GLU . 21.6 mt-10 -49.71 -61.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -44.42 -43.9 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -29.56 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -79.8 -37.37 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -75.26 -49.0 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' HG23 ' A' ' 49' ' ' ILE . 48.1 mt -49.96 -26.36 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.8 mm-40 -36.97 -34.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 2.7 m-85 -83.35 149.92 26.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.6 173.74 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -59.79 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.05 -44.52 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 22.1 tp -51.5 -61.13 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 20' ' ' LEU . 4.5 tp -46.27 -61.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -45.43 34.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.617 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -53.54 -44.13 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.53 -56.42 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.41 -25.59 50.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.32 30.46 5.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 -86.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -62.44 174.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -119.1 168.42 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -126.77 120.88 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.06 29.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.99 120.68 17.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -72.96 -1.31 55.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -88.48 -11.12 46.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -109.28 -38.1 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.85 -49.53 10.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -64.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.517 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.09 -23.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 20.5 mt -71.35 -42.76 68.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -59.68 -58.77 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -53.46 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 30' ' ' PHE . 20.7 mt -49.9 -50.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 61.5 ttt180 -54.26 -35.68 62.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -61.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -43.25 -48.11 6.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -50.45 -50.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.22 -49.67 68.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.81 -58.95 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -47.72 -39.48 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' GLN . 8.3 tttt -52.6 -53.48 46.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -40.43 -50.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.4 ttt180 -74.92 -55.31 5.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -48.73 -22.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 6.7 mm-40 -80.68 -56.51 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 27' ' ' PHE . 69.8 p -44.87 -67.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 61.57 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -74.27 56.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.09 -26.3 74.11 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.5 mp -136.02 131.68 35.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . 56.7 tp -37.86 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -37.61 -52.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.645 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -51.06 -57.07 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 16.2 t0 -46.73 -42.54 16.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.1 mt -70.08 -53.72 16.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mt -43.48 -62.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.645 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 36.5 m-85 -46.41 -24.15 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.62 -56.57 22.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -83.99 -29.67 26.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -63.9 -41.45 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.505 ' CA ' ' HB3' ' A' ' 35' ' ' PHE . 25.9 mtm -68.51 -56.0 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 36' ' ' GLU . 3.7 tt0 -46.36 -24.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -58.78 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -75.21 -75.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -41.8 -23.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.2 tp10 -33.32 -71.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.99 57.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 46' ' ' PHE . 97.3 mt -56.42 134.94 54.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.4 ' OG ' ' OE1' ' A' ' 42' ' ' GLU . 2.9 m -72.24 169.53 15.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.83 -53.08 36.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -64.62 -39.51 93.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' OE1' ' OG ' ' A' ' 39' ' ' SER . 6.6 mt-10 -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.93 -45.58 78.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 t -49.98 -45.44 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 23.2 mm-40 -58.31 -60.88 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -45.21 -44.59 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -32.03 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 mm-40 -77.43 -39.26 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.446 HG13 ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.21 -51.53 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' GLU . 7.1 mt -46.89 -25.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.9 mm-40 -37.25 -38.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.588 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 1.6 m-85 -84.33 150.94 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.76 177.07 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -50.38 -55.98 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -46.08 -60.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.3 mm-40 -59.02 -51.13 71.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -48.76 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' A' ' 23' ' ' LEU . 5.7 tp -47.65 -60.18 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.65 -48.4 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.588 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -50.2 -63.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.6 mt -50.12 -48.02 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.4 -36.17 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.65 25.16 3.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -77.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 160.52 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.58 169.93 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 t -115.13 123.56 49.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.6 36.44 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.77 126.6 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.72 -6.96 87.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 75' ' ' MET . 39.0 m-70 -82.62 -2.92 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 76' ' ' LEU . 13.1 mt -104.45 -33.52 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.1 mt -41.65 -49.04 10.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -38.35 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.514 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 15.4 mmt -68.21 -20.78 64.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 80' ' ' ARG . 7.7 mt -76.51 -47.3 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -52.68 -49.06 66.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -66.25 -58.83 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.557 HG12 ' CZ ' ' A' ' 46' ' ' PHE . 25.5 mt -56.62 -68.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -38.04 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.02 -60.57 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -43.34 -39.92 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.06 -46.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -60.17 -36.7 78.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -57.53 -59.77 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -44.59 -40.31 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.5 -48.82 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.586 HD12 ' CD2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -41.37 -52.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.3 mtt180 -76.01 -51.58 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -46.18 -25.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.46 -45.04 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.571 HG21 ' CD1' ' A' ' 27' ' ' PHE . 76.8 p -70.08 -174.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 2.3 mtt-85 58.54 154.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 2.9 ttt-85 79.94 82.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . 165.1 -51.3 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 1.3 mp -144.31 146.94 32.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.28 -71.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -39.79 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.624 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.47 -55.91 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -46.4 -36.8 6.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.69 -55.26 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 13.6 mt -40.5 -61.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -43.16 -43.4 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' GLU . . . -42.25 -58.04 3.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.4 mtm180 -86.92 -49.52 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -36.98 -46.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -77.4 -58.48 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -44.58 -25.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' MET . 1.4 mttm -96.94 -32.82 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' HIS . 63.6 mm-40 -97.59 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 31' ' ' MET . 0.8 OUTLIER -38.25 -31.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.3 tm-20 -66.48 -44.6 82.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' GLU . 39.9 m170 -87.64 -22.7 24.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 46' ' ' PHE . 19.5 mt -46.48 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -163.78 160.28 22.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' SER . 1.9 t70 -36.9 -60.05 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.1 -53.54 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -56.65 -49.51 74.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -42.84 -46.69 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -37.2 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.7 OUTLIER -74.9 -54.6 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -48.1 -41.46 26.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 t -60.93 -23.44 65.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.56 -46.15 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -71.06 -46.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' CD2' HG22 ' A' ' 16' ' ' THR . 77.2 mt -49.76 -31.81 12.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -37.49 -34.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 2.2 m-85 -82.59 149.31 27.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.69 170.23 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.65 -58.78 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.27 -61.21 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.5 mm-40 -53.44 -50.82 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 23' ' ' LEU . 45.7 tp -51.29 -60.43 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.8 tp -52.54 -60.58 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.487 ' CB ' ' CB ' ' A' ' 64' ' ' HIS . . . -48.06 -44.39 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.596 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 mt -49.79 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.91 -45.7 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.81 -34.6 77.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 112.49 23.97 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.487 ' CB ' ' CB ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -81.57 -83.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.3 t -59.7 175.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -121.01 161.36 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.568 ' CG2' ' O ' ' A' ' 67' ' ' THR . 4.8 t -137.53 98.03 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.94 39.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 9.2 mttt -131.69 109.49 10.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.79 -13.95 53.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -87.5 1.25 54.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 50.0 mt -115.81 -41.17 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -38.34 -50.24 3.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.503 ' SD ' ' CB ' ' A' ' 45' ' ' GLU . 5.7 mmt -48.43 -24.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.8 mt -74.0 -35.68 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -62.43 -54.8 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' NZ ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -60.97 -54.48 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.488 HG23 ' CE1' ' A' ' 30' ' ' PHE . 40.9 mt -56.21 -43.07 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.4 tmm_? -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -52.04 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' ALA . 13.2 m-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -32.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -62.03 -52.46 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -43.93 -35.14 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -54.98 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -54.4 -46.83 73.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -48.63 -49.3 37.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -39.6 -55.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.485 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 9.5 mtp180 -75.94 -51.64 11.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -41.87 -28.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -66.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.59 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 74.4 p -43.63 -60.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -34.14 126.86 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -159.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.03 20.87 26.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 23.1 tp -65.43 -76.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -35.27 -54.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.703 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -50.94 -55.84 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -36.3 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLY . 7.5 mt -75.93 -51.43 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 22.1 mt -44.25 -54.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.703 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 62.2 m-85 -50.78 -28.65 9.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -56.94 -74.08 0.37 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 2.9 ptm180 -57.2 -23.0 44.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 1.3 t80 -75.95 -46.37 30.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.51 ' CB ' ' HB3' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -71.67 -41.61 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.43 -27.17 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.76 -49.32 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 63.9 mm-40 -79.8 -77.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -39.88 -27.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -36.32 -65.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -141.35 56.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 46' ' ' PHE . 38.5 mt -55.73 -165.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -162.38 154.25 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.43 -56.3 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.06 68.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.4 mm-40 -85.18 -13.23 50.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' SER . 12.7 mt -76.14 -51.0 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.2 -61.39 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -49.46 -52.74 27.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -54.2 -48.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.37 -40.78 93.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -66.53 -41.14 89.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -75.13 -52.25 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 16' ' ' THR . 34.9 mt -45.98 -27.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.3 mm-40 -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -82.8 152.36 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 176.07 8.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' CA ' HD21 ' A' ' 23' ' ' LEU . 8.0 m-20 -62.42 -60.75 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -42.08 -51.94 4.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 11.2 mm-40 -67.85 -41.06 83.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 23' ' ' LEU . 40.6 tp -57.61 -61.84 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 23' ' ' LEU . 6.9 tp -43.13 -58.72 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLY . . . -52.53 -49.82 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' GLY . 3.1 mt -51.55 -63.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.92 -43.6 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -66.96 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.83 25.95 4.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.549 1.156 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -82.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.547 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 174.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.35 171.88 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 67' ' ' THR . 1.0 OUTLIER -122.35 120.31 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.25 0.89 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 22.9 mttp -120.26 103.7 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.3 -8.03 48.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' MET . 3.6 m80 -73.76 -5.01 38.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.578 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CD2' HG13 ' A' ' 49' ' ' ILE . 2.9 mt -104.84 -20.78 13.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -44.51 -47.4 26.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.05 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.475 ' HE1' ' CE ' ' A' ' 78' ' ' LYS . 33.8 mmm -55.7 -22.5 23.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.9 mt -75.88 -31.74 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.45 -56.79 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -55.41 -49.52 72.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CD1' HD12 ' A' ' 49' ' ' ILE . 79.2 mt -63.47 -67.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 24.6 ttp180 -37.71 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.38 -65.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.13 -44.43 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 mp -55.22 -52.16 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.02 2.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -60.7 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -44.52 -44.98 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -49.46 -41.39 40.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.53 HD12 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -49.68 -52.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.516 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.58 -50.86 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.24 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.61 -25.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -84.65 -53.6 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 33.3 p -57.2 -163.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.0 150.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 71.94 -179.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 48.86 97.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER 66.01 110.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -57.85 -44.95 86.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.64 -43.48 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -58.71 -33.71 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -68.45 -39.82 81.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.2 mt -68.8 -49.52 57.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 39.8 mt -40.58 -52.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 18.1 m-85 -53.28 -40.9 65.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -41.96 -50.77 5.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.49 -51.66 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -42.82 -33.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.416 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 mtt -83.97 -53.8 5.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.93 -27.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.92 -54.23 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 23.9 mt-10 -75.76 -75.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' GLU . 1.2 t80 -40.95 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLU . 12.3 tt0 -34.22 -55.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -153.53 53.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.688 ' CD1' ' CE2' ' A' ' 46' ' ' PHE . 53.8 mt -58.61 142.68 48.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.65 167.05 22.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.7 t0 -64.29 -58.03 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -59.04 -38.71 79.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' A' ' 78' ' ' LYS . 1.1 tp10 -61.93 -44.9 95.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.1 mt -45.88 -46.73 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -58.26 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -48.93 -57.79 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -47.46 -56.46 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 t -61.43 -24.96 66.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 2.1 tp10 -78.84 -43.34 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.86 -46.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 51' ' ' GLU . 76.9 mt -52.19 -31.38 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.6 mt-10 -35.21 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LEU . 10.1 m-85 -85.87 147.88 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.45 160.79 30.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 5.0 m-20 -51.52 -46.33 63.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.484 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.8 tm0? -45.26 -59.97 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.77 -61.29 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 5.2 tp -50.55 -60.3 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -50.28 -45.4 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -60.59 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -53.2 -43.23 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.99 -22.04 66.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.14 31.25 6.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.95 -89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.59 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.2 m -60.58 171.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -117.85 172.38 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.6 t -120.4 120.56 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.05 -0.88 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.5 mptt -128.89 114.68 16.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 -5.06 45.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -83.19 3.75 29.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' LEU . 10.7 mt -108.54 -39.12 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.13 -50.46 8.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.6 -22.64 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.5 mt -75.27 -35.12 61.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -62.55 -55.59 25.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -58.17 -36.6 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 75' ' ' MET . 63.1 mt -71.32 -56.02 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -39.16 -50.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -51.52 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -47.55 -34.65 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -74.95 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -48.5 -34.24 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.23 -26.19 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 15' ' ' GLN . 2.4 mmtp -74.91 -40.5 60.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -42.67 -50.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.8 mtt180 -75.58 -45.45 37.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.53 -16.87 27.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.53 -58.88 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 65.4 p -44.44 -56.5 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 132.67 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.3 -152.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 44.32 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 54' ' ' ASP . 5.7 mp -140.66 107.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.54 -69.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -56.22 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 6.5 tp -50.04 -40.61 45.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -36.32 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -75.41 -50.46 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 34.5 mt -40.36 -61.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 46.5 m-85 -43.66 -45.05 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.3 -51.35 5.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.5 mmt180 -85.59 -52.98 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -46.29 -49.4 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' PHE . 95.7 mtp -60.69 -50.91 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.22 -23.28 67.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.46 -12.21 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' HIS . 18.7 mm-40 -128.59 -75.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CE1' HG21 ' A' ' 12' ' ' ILE . 38.7 t80 -40.67 -34.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -38.91 90.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -92.12 -15.35 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.569 ' CD1' ' CD2' ' A' ' 46' ' ' PHE . 17.4 mt -54.43 -169.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 43' ' ' LEU . 15.2 m -164.25 177.28 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -65.39 -20.75 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 3.9 mt-10 -85.07 -12.51 52.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 39' ' ' SER . 2.3 mt -71.99 -38.24 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 m -53.43 -59.31 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 7.4 pt-20 -47.7 -43.72 26.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -60.96 -57.87 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -26.14 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -74.38 -41.12 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.63 -41.16 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 46' ' ' PHE . 69.2 mt -64.37 -14.83 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . 3.4 mm-40 -36.39 -35.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 60' ' ' LEU . 10.8 m-85 -78.81 145.81 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 1.6 mp0 -65.99 175.19 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' HD22 ' A' ' 23' ' ' LEU . 5.1 m-20 -64.25 -48.66 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.91 67.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.69 -52.2 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 14.9 tp -45.19 -61.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 23' ' ' LEU . 5.8 tp -42.78 -57.21 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -49.6 -49.47 46.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -49.32 -63.65 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -47.71 -44.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.92 -29.89 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 109.66 29.06 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -90.85 -85.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.621 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -54.89 165.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 162.82 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 67' ' ' THR . 3.6 t -137.8 98.31 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.59 36.71 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 33.3 mmtt -128.18 105.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -60.89 -13.11 31.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.412 ' O ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -85.57 1.81 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.566 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' LEU . 10.8 mt -123.6 -40.47 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -39.88 -50.18 5.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.45 ' HA ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -47.37 -22.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' LEU . 12.0 mt -71.56 -47.72 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.458 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 2.3 mm-40 -55.35 -56.7 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -56.15 -64.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.548 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 62.5 mt -48.15 -51.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 2.0 ttt-85 -47.89 -48.05 31.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -57.58 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.21 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 5' ' ' ASP . 42.5 mm -72.76 -49.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.5 -34.84 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -66.31 -61.22 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -61.55 -23.56 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' GLN . 9.8 tptt -75.15 -57.27 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -44.89 -48.06 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 ttp180 -61.58 -57.13 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -65.37 -9.5 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.35 -18.28 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.593 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 82.4 p -85.33 -44.5 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -37.92 141.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.24 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 8.1 ttt180 83.98 140.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 -63.51 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -151.57 137.94 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.37 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.57 -44.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.696 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -53.36 -54.93 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.85 -37.33 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -74.54 -50.78 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.504 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 18.7 mt -45.0 -49.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.696 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 57.5 m-85 -56.92 -41.4 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -41.69 -42.84 3.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -51.43 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -47.79 -40.42 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.615 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -66.22 -40.98 90.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.2 tt0 -59.85 -24.8 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -96.55 -54.0 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 72.6 mm-40 -75.43 -77.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.31 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.1 tt0 -34.68 -67.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -142.4 56.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 46' ' ' PHE . 42.8 mt -55.03 -167.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -161.76 157.53 24.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' SER . 6.4 t0 -39.42 -63.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.32 -48.08 9.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -55.72 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 12' ' ' ILE . 6.9 mt -41.81 -51.18 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -59.7 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mp0 -68.12 -57.21 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -41.84 -47.65 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -63.37 -36.5 83.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' GLU . 34.4 mm-40 -64.49 -43.61 93.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.57 -43.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' HG12 ' A' ' 12' ' ' ILE . 70.6 mt -60.89 -35.59 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -38.63 -33.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.4 m-85 -78.28 152.57 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -78.81 164.96 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 3.9 m-20 -54.51 -57.57 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -43.27 -55.06 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.12 -40.54 94.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 23' ' ' LEU . 47.4 tp -56.7 -61.7 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -47.83 -57.04 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -51.14 -46.87 62.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.49 -60.05 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.04 -45.89 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.93 -29.95 68.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 107.57 27.86 5.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -88.42 -87.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 0.0 109.595 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.7 t -59.12 174.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.8 mp0 -121.78 171.19 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -119.86 120.73 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -90.86 20.71 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 68' ' ' ASP . 23.7 mmtt -140.15 118.18 11.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.99 -9.3 66.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -79.09 -3.22 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 76' ' ' LEU . 19.1 mt -105.17 -37.88 6.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -35.68 -51.48 1.47 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -58.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.5 -28.46 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 6.0 mt -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 mm-40 -58.63 -54.41 47.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.47 -50.59 64.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 75' ' ' MET . 60.5 mt -58.71 -68.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.83 -29.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -46.99 -57.0 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.522 0.201 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.8 ttm 55.48 84.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.1 t -125.73 161.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.586 ' CE2' ' CG ' ' A' ' 40' ' ' ASP . 2.3 t80 173.87 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -144.89 -176.51 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.23 -25.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -69.6 -54.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.94 -32.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -61.63 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -29.0 69.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ILE . 4.1 tttm -61.18 -55.5 31.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.567 HD13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.08 -49.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 mtt180 -75.06 -57.44 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.91 -27.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.52 -47.14 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 HG21 ' CE1' ' A' ' 27' ' ' PHE . 23.6 p -62.57 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 63.87 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -166.49 -149.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.37 37.76 3.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -137.79 107.33 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' ASP . 36.3 tp -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.24 -48.74 17.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 6.1 tp -61.46 -29.49 70.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.0 t70 -73.01 -32.39 65.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.93 -48.39 24.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 14.7 mt -44.86 -62.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 26.7 m-85 -42.13 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.94 -61.51 2.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -48.13 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.655 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.51 -59.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.66 -58.31 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -47.26 -24.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -46.3 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' HIS . 1.1 mm-40 -85.22 -69.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' MET . 83.0 t80 -39.61 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.62 82.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' GLU . 23.8 m80 -86.01 -40.88 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 46' ' ' PHE . 79.9 mt -44.65 111.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -76.03 169.35 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.586 ' CG ' ' CE2' ' A' ' 4' ' ' PHE . 5.1 m-20 -42.9 -54.45 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -54.83 -55.88 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.21 -43.63 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 4' ' ' PHE . 12.5 mt -52.42 -28.25 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.4 mm-40 -67.69 -45.82 74.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.655 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -45.7 -41.23 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.514 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 44.5 t -63.38 -32.0 73.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' CB ' ' CD2' ' A' ' 72' ' ' LEU . 5.3 mt-10 -67.13 -44.1 80.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.19 -44.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 46' ' ' PHE . 81.0 mt -59.22 -37.69 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.8 mm-40 -39.1 -38.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.29 156.18 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.35 174.86 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 2.9 m-20 -68.37 -53.37 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.05 -58.9 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.31 -48.25 62.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.47 -60.58 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 23' ' ' LEU . 4.9 tp -50.63 -62.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -48.02 -46.37 33.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.9 mt -47.36 -63.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 mt -49.6 -47.98 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -59.38 -28.13 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.98 25.22 6.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -84.79 -81.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.602 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -66.01 175.19 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.51 172.34 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 t -124.48 120.83 33.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -92.63 36.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 tptt -152.38 126.11 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.07 -6.51 88.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -14.54 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.511 ' CD2' ' CB ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -98.3 -21.99 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -44.87 -48.5 29.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.97 -46.11 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.407 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 1.9 tpp -57.07 -34.58 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.555 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 5.0 mt -64.9 -46.27 82.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.69 -54.9 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' MET . 14.5 ptpt -65.15 -58.53 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.583 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 50.9 mt -52.13 -67.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.8 tmm_? -40.0 -34.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -56.04 -67.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.444 0.164 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 mtt -169.38 146.32 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.04 158.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 40' ' ' ASP . 20.8 p90 -98.42 173.82 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -142.81 170.36 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -40.4 -40.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mt -55.62 -51.27 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -50.22 -42.85 52.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -51.28 -56.86 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -44.1 -43.43 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -53.14 -45.96 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.581 HD12 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.92 -53.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -76.32 -51.67 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.27 -23.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.19 -46.61 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.635 HG23 ' CE1' ' A' ' 27' ' ' PHE . 22.0 p -60.89 -166.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 46.57 -175.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 2.3 ttt180 53.58 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' CD2' ' A' ' 20' ' ' LEU . . . 142.58 -55.22 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 HD23 ' CG ' ' A' ' 55' ' ' GLN . 1.6 mm? -143.24 142.43 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.43 -70.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -39.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -55.06 -56.46 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -45.84 -35.47 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.5 mt -75.45 -55.73 5.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 16.0 mt -38.94 -58.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.635 ' CE1' HG23 ' A' ' 16' ' ' THR . 45.9 m-85 -47.47 -42.95 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -42.22 -50.41 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -85.38 -58.08 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -38.23 -33.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' PHE . 29.4 mtp -80.64 -56.44 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -46.71 -24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -91.82 -49.57 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 2.7 mp0 -88.52 -71.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 11.4 t80 -42.33 -22.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 14.0 pt-20 -34.19 -49.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.53 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -158.4 49.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.641 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 46' ' ' PHE . 41.5 mt -57.1 130.17 44.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.9 m -75.35 -175.16 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.581 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -72.23 -58.44 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -57.12 -32.86 66.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -50.65 60.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 4' ' ' PHE . 5.5 mt -48.99 -49.47 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.35 -58.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -53.75 -52.27 60.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -48.66 -53.0 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -61.78 -28.81 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.051 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -77.07 -40.53 45.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -76.62 -46.94 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' GLU . 72.8 mt -55.27 -19.12 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.6 mm-40 -37.0 -35.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' CD2' HD12 ' A' ' 60' ' ' LEU . 1.6 m-85 -85.6 153.02 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.54 174.22 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -51.92 -63.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.494 ' CG ' HD23 ' A' ' 20' ' ' LEU . 4.0 tm0? -42.81 -61.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -54.68 -45.37 73.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.14 -60.63 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 23' ' ' LEU . 4.0 tp -47.02 -61.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -46.01 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.6 mt -53.28 -60.93 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.3 mt -47.98 -48.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -59.87 -29.98 68.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.04 12.55 17.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -80.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.605 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -63.21 164.13 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -117.0 167.9 10.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.5 t -116.43 122.41 44.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -80.97 7.67 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 117.68 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.48 -2.44 42.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -80.92 -2.13 46.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.564 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 4.7 mt -108.84 -31.59 7.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.39 -49.96 9.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -75.07 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 38.2 mmt -54.95 -26.15 34.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.1 mt -72.39 -35.5 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.05 -55.97 20.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -57.12 -60.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.58 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 13.7 mt -50.41 -52.59 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ttt85 -46.81 -44.61 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -62.66 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.524 0.202 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.89 63.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.67 160.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.649 ' CE1' ' CD1' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -172.55 121.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.3 m-20 -167.41 173.52 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ASP . 5.6 m-20 -40.64 -38.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.2 -52.73 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.75 -49.31 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -51.23 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -42.32 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLN . 5.0 ttpt -55.95 -42.08 75.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -47.95 -52.51 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -73.53 -40.52 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.65 -16.64 63.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -85.44 -44.53 12.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 27' ' ' PHE . 7.6 p -57.53 -167.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -179.85 145.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 ptm180 -85.16 42.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -50.79 -30.28 21.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD21 ' N ' ' A' ' 55' ' ' GLN . 1.6 mm? -130.55 164.85 23.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.96 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -43.48 -45.21 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.06 -57.75 8.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 15.9 t0 -46.03 -39.39 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.0 mt -74.95 -44.43 48.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 57.6 mt -44.87 -61.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 21.4 m-85 -53.56 -18.67 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -69.38 -54.24 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.34 -48.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 7.7 t80 -38.8 -66.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG2' ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -48.5 -53.35 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -44.85 -27.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -50.62 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 1.1 mp0 -76.25 -73.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -41.25 -25.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.5 tp10 -34.58 -61.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.86 54.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.599 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD22 ' CE1' ' A' ' 46' ' ' PHE . 41.4 mt -55.68 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -162.48 156.1 20.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -39.05 -50.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -50.16 -56.2 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.19 -41.18 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 8.9 mt -46.53 -43.64 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -59.59 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 75' ' ' MET . 8.1 mt-10 -57.15 -61.48 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.51 -61.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -46.54 -26.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.63 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.493 ' CD1' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -44.37 -33.0 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 16' ' ' THR . 42.4 mt -68.17 -46.35 70.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLU . 3.2 mm-40 -38.45 -34.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.4 m-85 -70.96 152.32 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 171.93 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -63.16 -59.95 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.439 ' N ' HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -42.76 -56.65 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.42 -42.4 99.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.4 tp -57.61 -61.17 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.4 -61.73 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.01 -44.54 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD12 ' CE1' ' A' ' 52' ' ' PHE . 3.3 mt -54.0 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -47.35 -49.42 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.37 -33.71 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.59 27.61 4.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 -84.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -53.8 176.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.88 167.87 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -133.07 121.24 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.03 35.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 71.0 mmtt -145.23 119.05 9.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.49 -4.86 89.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -20.11 53.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.786 . . . . 0.0 109.631 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 69' ' ' LYS . 1.7 mt -93.35 -24.16 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.2 -48.92 8.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.03 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.8 -30.23 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 6.4 mt -67.28 -31.86 72.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' PRO . 5.1 mm-40 -71.44 -53.45 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -65.21 -42.91 93.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.523 ' CG1' ' O ' ' A' ' 75' ' ' MET . 66.4 mt -63.58 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.71 -22.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.4 -71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.498 0.189 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -150.43 100.3 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.65 162.92 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER 176.09 106.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' ALA . 5.3 m-20 -130.99 178.76 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 7' ' ' ILE . 2.8 p30 -43.63 -27.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 70.3 mt -65.79 -49.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.69 -24.76 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -58.53 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -44.94 -38.56 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ILE . 35.5 mmtt -53.84 -53.07 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -40.26 -50.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.26 -53.75 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -44.56 -25.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -51.45 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 20.9 p -56.45 -166.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 59.51 165.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.2 mtp180 67.42 176.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . 73.58 -55.01 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 3.7 mp -143.35 136.86 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.22 -63.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.2 -41.95 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.524 HD13 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.38 -53.01 50.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -49.02 -37.69 21.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -72.46 -48.99 36.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 30.6 mt -46.67 -52.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.4 m-85 -53.95 -40.3 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.56 -49.29 5.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -85.19 -55.59 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.76 -59.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.58 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.1 -25.23 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -92.29 -57.89 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' C ' ' N ' ' A' ' 36' ' ' GLU . 31.9 mm-40 -75.63 -74.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t80 -44.96 -19.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 7.9 pt-20 -34.2 -48.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -157.94 48.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.717 ' CD1' ' CE2' ' A' ' 46' ' ' PHE . 41.5 mt -59.49 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.7 t -163.07 -176.23 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' N ' ' OG ' ' A' ' 39' ' ' SER . 15.7 t0 -52.3 -61.23 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -38.91 -56.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.3 -43.76 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -46.76 -45.38 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -59.49 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 46.7 mm-40 -61.18 -58.45 8.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.717 ' CE2' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -45.91 -54.63 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.5 t -62.77 -20.63 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -84.59 -41.57 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.487 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.6 -48.58 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.419 ' N ' HG21 ' A' ' 49' ' ' ILE . 56.8 mt -49.76 -24.04 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.1 -34.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -83.52 154.34 23.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 169.35 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 5.1 m-20 -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.435 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -54.08 -56.37 18.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.56 -41.08 98.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 23' ' ' LEU . 54.8 tp -52.52 -61.18 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 3.5 tp -47.37 -62.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.79 -45.75 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -54.99 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.9 mt -48.69 -47.26 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -58.45 -36.08 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.4 21.36 5.53 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.99 -86.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 176.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.64 168.61 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -121.76 120.9 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -91.19 33.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 80.8 mttt -151.71 120.39 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.51 -3.65 78.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -86.49 -7.37 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 4.4 mt -105.0 -33.63 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -42.05 -49.92 11.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 83.9 mmm -53.55 -21.43 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.3 mt -75.34 -41.08 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.39 -51.48 68.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -63.24 -58.61 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.483 HD12 ' CD1' ' A' ' 49' ' ' ILE . 65.5 mt -52.22 -50.82 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -46.23 -48.01 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -57.78 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.531 0.205 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.49 146.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -84.71 161.9 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -65.74 104.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.928 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -155.04 -179.65 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -49.86 -47.23 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -54.37 -50.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.36 -50.86 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' NZ ' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -65.91 -46.23 79.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -52.68 -43.73 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.5 tptt -55.38 -47.58 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -39.78 -54.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HG3' ' CE ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -74.58 -48.02 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -51.12 -22.52 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.4 mm-40 -85.08 -48.93 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.552 HG23 ' CE1' ' A' ' 27' ' ' PHE . 5.1 p -56.26 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 175.31 161.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CA ' ' HB2' ' A' ' 24' ' ' ASP . 25.5 ptt180 -96.14 20.09 10.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -36.94 -67.5 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CA ' ' A' ' 55' ' ' GLN . 4.2 mm? -90.91 130.44 36.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' LEU . 49.7 tp -39.64 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -38.89 -48.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -52.47 -55.88 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CA ' ' A' ' 18' ' ' ARG . 24.2 t0 -47.51 -39.87 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 6.4 mt -74.29 -46.28 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 51.9 mt -44.39 -61.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 28.4 m-85 -50.29 -21.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -60.06 -60.25 8.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -85.58 -47.06 10.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 12.1 t80 -38.74 -66.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.31 -46.56 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.56 -29.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -94.87 -45.21 7.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -78.02 -74.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CB ' ' CG ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -42.32 -25.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -34.98 -57.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.88 50.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 46' ' ' PHE . 36.5 mt -48.2 140.24 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -74.2 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -67.62 -51.09 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -65.08 -42.86 93.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 47.9 mt-10 -62.26 -42.7 99.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 4' ' ' PHE . 11.8 mt -48.29 -55.26 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.5 -53.13 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 5.7 mm-40 -53.78 -57.8 9.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -42.61 -42.78 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -36.87 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.9 mt-10 -72.47 -39.92 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 75' ' ' MET . 0.1 OUTLIER -75.57 -49.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.4 mt -50.99 -23.46 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.8 mm-40 -37.72 -34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 3.3 m-85 -81.66 149.06 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -85.06 -178.74 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -56.06 -62.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.461 ' CA ' HD21 ' A' ' 20' ' ' LEU . 8.7 tm0? -44.9 -59.9 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 36.7 mt-10 -56.55 -55.02 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 23' ' ' LEU . 46.6 tp -47.19 -59.43 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.8 tp -46.51 -59.46 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -47.66 -48.26 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.613 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 mt -50.85 -44.41 59.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.13 -54.9 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.65 -32.4 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.79 27.46 3.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.31 -85.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.608 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.16 167.78 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -127.67 172.7 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.39 122.57 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 23.06 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -136.83 117.56 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.02 -6.42 56.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.15 -4.3 46.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' ' OG1' ' A' ' 67' ' ' THR . 1.5 mt -105.56 -33.89 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.525 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -37.1 -50.83 2.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.799 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.512 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -48.85 -22.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 8.1 mt -75.46 -40.42 57.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 3.6 mm-40 -60.95 -50.65 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.31 -48.98 68.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.512 ' CG1' ' O ' ' A' ' 75' ' ' MET . 59.7 mt -61.71 -67.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -43.68 -25.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.86 -71.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.45 0.167 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 ptt? 177.31 65.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 t -137.09 162.69 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.671 ' CE1' ' CD1' ' A' ' 43' ' ' LEU . 1.5 t80 -80.16 121.39 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.43 -175.0 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -40.45 -46.36 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.0 -53.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.23 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.65 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.46 -51.3 70.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -50.22 -35.91 28.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' CD1' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -50.84 -49.18 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' CG ' ' HE3' ' A' ' 31' ' ' MET . 8.3 mtp180 -74.92 -40.93 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.14 -18.68 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -85.12 -55.56 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 47.4 p -44.48 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER 68.49 113.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.77 68.32 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.78 -8.9 43.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 58' ' ' LEU . 3.9 mp -129.31 162.7 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.56 -66.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.04 -38.6 38.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -53.74 -58.02 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' CA ' ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -46.17 -35.29 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' CD2' ' OD1' ' A' ' 24' ' ' ASP . 6.8 mt -75.34 -43.68 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 58' ' ' LEU . 44.4 mt -52.85 -62.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 23' ' ' LEU . 18.6 m-85 -57.31 -40.65 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.21 -55.23 4.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -85.08 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 3.7 t80 -39.81 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' PHE . 14.1 mtp -85.36 -57.9 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -24.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' ' CB ' ' A' ' 82' ' ' ALA . 1.8 ttpt -93.68 -45.12 7.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 71.1 mm-40 -91.99 -70.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 31' ' ' MET . 38.5 t80 -38.47 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.7 tt0 -35.3 -53.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.68 49.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 30.0 mt -46.48 128.62 10.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.73 163.51 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.22 -53.74 54.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -64.97 -39.71 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.67 -39.98 95.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 14.3 mt -50.89 -27.01 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -64.03 -51.62 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 78' ' ' LYS . 49.8 mt-10 -54.17 -52.89 59.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -52.35 -61.53 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' LEU . 14.1 t -47.23 -65.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 3.4 tp10 -39.32 -50.94 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -67.09 -40.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' SER . 25.5 mt -55.14 -28.58 53.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -36.76 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.659 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 5.0 m-85 -84.32 149.28 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.2 -178.79 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -54.64 -62.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.5 -58.24 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 6.6 mm-40 -52.72 -51.72 59.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 23' ' ' LEU . 11.4 tp -56.61 -59.74 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 26' ' ' ILE . 3.6 tp -47.49 -63.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.99 -47.83 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.659 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 4.9 mt -52.52 -62.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -50.2 -47.29 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -59.26 -23.1 62.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 98.99 27.64 8.18 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -82.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.41 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -63.08 158.89 18.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.59 174.58 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -128.23 124.9 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -87.42 35.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -142.66 117.7 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.31 5.36 55.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.4 ' O ' ' HG3' ' A' ' 75' ' ' MET . 17.7 m80 -82.36 -26.38 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.609 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 5.3 mt -94.3 -27.58 16.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.75 -50.09 3.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.06 -32.35 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LYS . 52.6 mtt -69.66 -52.27 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -43.71 -31.09 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.81 -42.21 74.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -65.44 -30.65 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.51 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 10.9 mm -60.47 -61.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -40.92 -44.5 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.72 -59.76 2.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' CB ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.478 0.18 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 56.74 166.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.93 161.66 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 43' ' ' LEU . 2.7 p90 -123.19 166.68 14.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 17.6 m-20 -141.98 173.78 11.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -40.66 -39.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mt -57.6 -52.96 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -48.09 -41.13 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -54.76 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 -39.58 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -45.42 72.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -45.32 -51.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 mtp180 -75.5 -43.3 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.17 -24.19 39.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -85.11 -46.11 11.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.569 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 17.5 p -60.55 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' THR . 5.4 mtp180 52.08 173.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 61.22 137.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . 108.21 -57.45 0.43 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 58' ' ' LEU . 2.3 mp -141.86 130.84 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.49 -70.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -42.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.13 -57.04 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -39.0 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.99 -50.75 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 42.1 mt -40.82 -56.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 23.2 m-85 -49.42 -44.13 45.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -42.71 -43.81 5.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -89.13 -46.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -54.11 -30.59 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.5 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -82.49 -38.09 24.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.54 -28.01 29.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -51.41 4.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' GLU . 14.5 mm-40 -76.13 -78.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 12' ' ' ILE . 16.0 t80 -40.36 -26.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLU . 11.4 tt0 -36.2 -63.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -144.81 57.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.544 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 46' ' ' PHE . 68.2 mt -59.52 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -161.79 160.18 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.1 t70 -37.37 -59.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.43 75.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CG ' HD23 ' A' ' 38' ' ' LEU . 1.3 tt0 -60.65 -30.43 69.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 4' ' ' PHE . 15.7 mt -69.4 -45.89 68.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 p -49.74 -59.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 75' ' ' MET . 10.7 pt-20 -54.5 -48.33 72.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -59.53 -59.02 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 t -59.92 -19.37 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 4.1 mt-10 -85.7 -44.64 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.48 HD11 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.16 -44.64 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 12' ' ' ILE . 6.9 mt -55.84 -19.05 10.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -37.76 -38.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -84.64 155.59 21.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.23 173.63 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 30.0 m-20 -60.42 -56.71 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.31 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.32 -39.31 93.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' CD2' HD11 ' A' ' 23' ' ' LEU . 45.5 tp -54.04 -61.53 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 23' ' ' LEU . 2.9 tp -47.51 -59.86 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -49.31 -45.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -52.99 -44.16 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -61.47 -57.32 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.93 -24.47 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.77 29.78 6.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.87 -84.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 t -65.74 175.07 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -116.96 165.35 13.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -122.63 123.03 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.45 36.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 tptt -149.66 119.59 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.82 -10.76 86.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 3.33 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 76' ' ' LEU . 18.6 mt -113.91 -39.17 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.52 -51.39 3.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.0 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.499 ' CG ' ' HB2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -48.9 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -75.34 -45.9 36.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.08 -47.56 65.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -61.53 -60.96 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 49' ' ' ILE . 33.4 mt -51.69 -58.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.02 -38.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -59.16 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.437 0.161 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.02 157.33 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 11.3 t -84.12 156.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 166.12 92.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -127.02 -164.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -44.88 -31.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.38 -58.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 4' ' ' PHE . . . -43.24 -38.89 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.19 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -53.74 -59.09 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -39.15 -45.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' O ' ' OG1' ' A' ' 16' ' ' THR . 6.0 mtp180 -75.72 -59.64 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -27.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 13' ' ' ARG . 1.8 mm-40 -82.0 -57.79 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.58 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 13.6 p -45.3 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -36.08 123.81 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -150.9 -153.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.69 -39.51 98.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -67.38 110.49 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASP . 15.8 tp -65.48 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -47.74 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 27' ' ' PHE . 4.8 tp -52.02 -35.15 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 t70 -64.25 -27.02 68.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.72 -58.87 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' CD1' ' A' ' 23' ' ' LEU . 4.6 mt -40.74 -62.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 30.4 m-85 -40.05 -48.0 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.96 -49.68 6.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.2 -56.0 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -37.47 -51.39 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -66.1 -59.56 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.51 -24.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -94.12 -43.81 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -92.64 -72.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' MET . 24.6 t80 -38.31 -32.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -46.23 75.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t-80 -83.93 -33.76 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD11 ' CE2' ' A' ' 46' ' ' PHE . 92.5 mt -51.12 -178.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -163.71 -174.71 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -47.73 -46.71 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.27 -67.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CG ' HD21 ' A' ' 38' ' ' LEU . 2.6 mm-40 -54.39 -43.0 71.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.589 HD12 ' CE1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -42.42 -43.89 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -57.05 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 29.7 mm-40 -61.15 -50.72 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -40.32 -52.99 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -58.92 -40.3 84.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . 13.7 mt-10 -60.56 -44.58 96.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -74.65 -54.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 46' ' ' PHE . 30.4 mt -43.61 -35.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.9 mt-10 -35.99 -39.81 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.6 m-85 -64.29 145.71 55.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' NE2' ' HG3' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -71.91 174.13 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' HD21 ' A' ' 23' ' ' LEU . 2.8 m-20 -70.42 -47.63 59.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.03 -60.54 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 53' ' ' GLN . 16.9 mm-40 -59.6 -50.92 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 tp -43.58 -61.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 20' ' ' LEU . 6.3 tp -45.63 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -48.68 -46.92 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.3 mt -53.33 -52.42 59.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.2 mm -48.01 -58.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.38 -34.29 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.36 26.01 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -84.23 -85.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.615 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.2 m -56.06 167.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -125.86 173.73 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 t -128.55 122.41 30.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.66 38.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.491 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 17.4 mttt -138.14 117.89 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -13.03 74.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -18.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 18.3 mt -98.12 -34.99 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -38.45 -49.92 3.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.5 Cg_endo -74.97 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.505 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 96.3 mmm -48.85 -24.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 9.2 mt -75.71 -36.06 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' PRO . 3.2 mm-40 -61.42 -51.76 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 1.2 ptpm? -64.06 -54.11 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.561 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 36.0 mt -56.54 -61.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.6 ttt180 -47.43 -32.22 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -49.7 -61.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.17 131.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.38 150.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 43' ' ' LEU . 3.7 t80 -64.3 144.85 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -177.21 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.77 -38.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.93 -55.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.89 -43.77 4.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -65.49 -42.37 92.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ILE . 9.9 tptm -50.14 -53.77 25.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.586 ' CD1' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -39.63 -51.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 mtt180 -75.53 -50.42 15.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.09 -30.51 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -78.92 -47.97 15.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.588 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 31.5 p -60.45 -161.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER 54.98 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 8.0 ttt85 70.36 120.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -61.49 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 58' ' ' LEU . 1.3 mp -136.6 143.6 43.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.8 tp -64.17 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -43.21 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -51.13 -54.82 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.54 -37.42 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ILE . 6.9 mt -75.63 -51.25 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 55.4 mt -38.36 -62.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 44.6 m-85 -41.35 -55.0 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.03 -46.7 5.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -85.13 -62.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CE2' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -42.27 -45.71 4.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -65.32 -37.24 86.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 31' ' ' MET . 0.6 OUTLIER -65.78 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -99.25 -3.24 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 1.1 mm-40 -126.65 -77.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' MET . 10.7 t80 -48.17 -32.18 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.14 -9.15 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -127.03 -41.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 32.0 mt -43.7 114.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -75.77 174.59 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.536 ' HB2' ' CD2' ' A' ' 4' ' ' PHE . 1.2 t0 -44.28 -62.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -46.48 -57.66 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.7 mt-10 -53.44 -50.1 65.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 4' ' ' PHE . 18.5 mt -44.71 -30.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 t -60.5 -44.28 96.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 6.9 mm-40 -63.41 -59.59 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CZ ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -40.97 -48.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.46 -39.71 23.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.1 tp10 -63.74 -68.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.74 -43.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 46' ' ' PHE . 56.2 mt -51.45 -36.01 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 2.1 mm-40 -37.65 -34.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -78.78 148.74 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 174.51 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 9.3 m-20 -59.45 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -56.58 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.7 -50.5 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 60' ' ' LEU . 58.1 tp -48.23 -61.06 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 20' ' ' LEU . 6.7 tp -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -49.29 -47.84 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 3.8 mt -45.17 -61.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.47 -44.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.27 -34.85 77.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.68 14.72 8.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -69.06 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.08 174.53 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -123.58 168.35 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 t -109.69 120.86 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -90.26 36.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -161.97 129.44 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.89 -6.59 88.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -79.53 -3.67 47.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 48' ' ' GLU . 1.8 mt -111.14 -25.52 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -43.19 -48.04 15.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.99 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 mpp? -53.21 -34.97 59.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 5.1 mt -64.28 -41.26 96.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -57.25 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CE ' ' SD ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -64.63 -53.01 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.528 ' CG1' ' O ' ' A' ' 75' ' ' MET . 54.3 mt -53.41 -66.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 3.5 ttm180 -41.01 -37.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.9 -62.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.568 0.223 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER 53.62 169.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.46 161.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.667 ' CZ ' ' CD1' ' A' ' 43' ' ' LEU . 9.5 p90 -113.31 173.93 6.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ALA . 27.8 m-20 -149.45 176.37 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -49.71 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -47.25 -49.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -51.37 -49.95 60.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -41.1 56.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -42.19 70.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.8 tttp -55.12 -46.8 75.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -39.89 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.465 ' CG ' ' HE2' ' A' ' 31' ' ' MET . 0.0 OUTLIER -74.87 -44.07 50.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -55.77 -22.14 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.37 -48.97 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 1.2 p -52.54 -59.29 4.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -37.01 135.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER 81.98 155.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.26 -62.37 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD22 ' CG ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -152.58 139.91 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 0.728 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' ASP . 30.9 tp -54.87 -72.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.96 -49.44 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.529 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -49.04 -45.7 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 6.3 t0 -55.29 -34.54 64.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.01 -50.66 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 6.6 mt -50.06 -57.98 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.6 m-85 -45.55 -45.88 13.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.39 -47.3 5.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -85.21 -57.83 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 6.6 t80 -38.38 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.465 ' HE2' ' CG ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -85.42 -47.05 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.37 -28.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.15 -55.01 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 36' ' ' GLU . 12.3 mm-40 -74.64 -77.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 10.9 t80 -40.41 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 4.3 tm-20 -34.5 -53.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -155.18 53.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.655 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' A' ' 46' ' ' PHE . 53.9 mt -57.79 129.74 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -75.4 171.83 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 9.9 t70 -55.72 -51.72 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -64.13 -44.35 92.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 1.2 mm-40 -59.26 -28.32 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.667 ' CD1' ' CZ ' ' A' ' 4' ' ' PHE . 13.2 mt -75.54 -17.2 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -75.27 -60.51 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 2.6 pm0 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -55.95 -56.86 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -60.55 -19.68 58.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 3.3 mt-10 -85.39 -47.14 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 ' CD1' ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -73.88 -42.43 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -54.22 -27.22 33.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.36 -34.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.2 153.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.07 163.79 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 5.8 m-20 -52.2 -58.67 5.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.487 ' CG ' HD22 ' A' ' 20' ' ' LEU . 1.4 tm0? -42.4 -58.59 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 23' ' ' LEU . 5.2 tp -44.83 -59.69 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' HB3' ' CB ' ' A' ' 64' ' ' HIS . . . -48.67 -47.76 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 2.4 mt -52.32 -44.73 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.32 -55.97 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -58.53 -32.92 69.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.48 3.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -81.89 -85.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.591 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.18 167.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -123.37 167.92 13.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 t -126.52 121.12 31.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.19 34.21 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 62.2 mmtt -142.1 115.98 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.98 60.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 75' ' ' MET . 28.3 m-70 -89.3 -3.37 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' LEU . 28.7 mt -109.94 -38.3 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -42.85 -49.14 13.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.06 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 30.4 mmt -57.27 -24.21 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.2 mt -75.91 -29.06 58.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 80' ' ' ARG . 4.1 mm-40 -65.96 -50.17 65.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -62.97 -34.76 78.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.464 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 64.8 mt -70.67 -50.36 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -56.7 -22.2 33.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -56.08 -66.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.49 0.186 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.66 61.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.71 145.74 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.592 ' CE2' ' CD1' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -177.61 119.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -168.85 166.61 11.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.45 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.437 ' N ' ' C ' ' A' ' 5' ' ' ASP . 2.7 mp -74.48 -57.15 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -62.75 -61.1 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -63.82 -47.42 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.4 tttm -43.14 -50.81 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -56.48 -50.1 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -58.62 -54.7 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.96 -41.21 97.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.547 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 71.5 p -55.96 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.4 mmt180 -163.72 144.03 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CB ' ' CG ' ' A' ' 24' ' ' ASP . 43.0 ptt85 -91.06 15.03 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -34.45 -38.86 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.067 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' LEU . 2.1 mm? -125.33 124.33 41.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LEU . 11.6 tp -35.27 -79.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ILE . 2.4 tp10 -37.82 -54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' A' ' 58' ' ' LEU . 4.4 tp -51.91 -49.12 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 55.6 t0 -55.0 -42.36 72.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 4.2 mt -74.07 -43.72 56.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 23' ' ' LEU . 44.8 mt -38.24 -64.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CE2' ' HB ' ' A' ' 16' ' ' THR . 49.0 m-85 -45.03 -38.77 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -43.0 -59.86 3.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.0 mtt85 -87.66 -49.08 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -37.55 -68.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.629 ' O ' ' N ' ' A' ' 35' ' ' PHE . 1.1 ttp -49.82 -53.64 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.1 -28.09 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -98.64 5.72 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' HIS . 3.7 mm-40 -135.29 -72.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -46.9 -37.52 9.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -64.05 -13.61 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' GLU . 73.6 t60 -120.19 -7.84 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 59.0 mt -66.18 -169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.2 m -163.05 164.07 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' SER . 65.7 t0 -37.81 -37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -62.48 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 3.2 mm-40 -53.27 -38.64 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' CD1' ' CE2' ' A' ' 4' ' ' PHE . 3.9 mt -41.8 -40.74 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -64.12 -52.93 56.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.4 mm-40 -57.73 -57.29 13.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -43.26 -61.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -55.77 -19.22 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.976 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -85.45 -43.38 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -76.7 -40.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' CD1' HG12 ' A' ' 12' ' ' ILE . 11.1 mt -60.35 -32.7 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -38.06 -40.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-85 -66.79 154.2 41.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -77.46 174.6 10.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' CB ' HD21 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -66.28 -61.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -42.52 -54.97 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.32 -44.99 93.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -53.97 -55.14 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' A' ' 23' ' ' LEU . 3.3 tp -52.7 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' CB ' ' CB ' ' A' ' 64' ' ' HIS . . . -46.46 -44.17 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -49.07 -63.18 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -50.96 -42.19 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -64.53 -31.29 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 111.21 17.9 8.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.479 ' CB ' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.26 -83.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.593 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 174.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.51 165.17 17.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -122.44 123.07 40.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.8 t0 -89.06 36.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 24.2 mttt -157.07 122.44 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.23 -11.28 81.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.64 -5.47 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.5 mt -103.23 -26.08 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -40.99 -49.93 7.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -74.99 -35.43 3.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.51 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 18.6 mmt -69.86 -24.33 63.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.9 mt -74.97 -27.3 60.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.0 -55.81 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 1.1 ptmt -58.01 -41.17 82.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.558 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 46.7 mt -71.83 -41.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 44.2 ttt-85 -64.03 -22.17 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tpt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.478 0.18 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.3 121.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t -80.15 162.97 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 40' ' ' ASP . 3.2 p90 -104.76 157.68 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' ALA . 7.5 m-20 -123.59 169.75 11.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -33.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 9' ' ' LYS . 2.6 mp -60.57 -49.2 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -42.3 -28.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -66.35 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -61.6 -21.37 64.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 14.1 tttt -70.1 -44.53 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.59 HD12 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -46.1 -49.87 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -75.3 -54.26 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -45.84 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -83.6 -52.78 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.54 HG22 ' CD1' ' A' ' 27' ' ' PHE . 6.7 p -52.57 133.62 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 18.0 ttt180 -135.35 156.02 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -88.5 19.04 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -37.16 -31.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.6 mm? -131.39 137.56 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -42.86 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -56.0 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -45.14 -52.11 9.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 65.5 t0 -52.22 -45.88 65.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.9 mt -67.01 -46.86 73.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 58.3 mt -45.06 -61.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CD1' HG22 ' A' ' 16' ' ' THR . 16.3 m-85 -53.32 -16.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -62.4 -61.45 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -86.09 -46.67 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 33.7 t80 -38.07 -34.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -78.39 -45.57 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.93 -23.54 66.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -14.76 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 3.0 mm-40 -122.31 -76.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' MET . 4.0 t80 -43.25 -25.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -44.64 -50.65 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . 2.7 t-80 -155.32 58.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 46' ' ' PHE . 51.6 mt -59.09 141.48 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.85 171.83 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' HA ' ' CE1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -68.3 -57.38 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -60.45 -45.03 95.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -43.0 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' CD1' ' CE2' ' A' ' 4' ' ' PHE . 15.3 mt -54.84 -28.43 49.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -59.37 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 1.2 mp0 -57.78 -51.32 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -46.86 -50.77 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -62.83 -19.75 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -83.35 -46.85 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.484 HG13 ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -69.19 -44.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' CD1' HG12 ' A' ' 12' ' ' ILE . 68.3 mt -50.4 -33.14 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -38.62 -34.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 56' ' ' GLU . 2.2 m-85 -80.83 151.28 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.2 174.97 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 4.4 m-20 -50.64 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' N ' HD22 ' A' ' 20' ' ' LEU . 12.7 tt0 -46.44 -60.58 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 3.5 mt-10 -51.55 -48.06 63.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' CD2' HD13 ' A' ' 23' ' ' LEU . 54.9 tp -57.72 -58.79 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 23' ' ' LEU . 5.0 tp -52.87 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -49.08 -43.45 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.536 HD13 ' CE2' ' A' ' 52' ' ' PHE . 4.6 mt -50.62 -63.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -50.48 -47.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -56.5 -34.68 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.81 19.58 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -79.24 -84.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -64.54 164.37 11.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -117.43 166.8 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' THR . 0.8 OUTLIER -128.91 120.26 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.91 35.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.1 mmpt? -136.13 117.49 14.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.01 -14.58 70.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -83.3 3.17 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 45.8 mt -114.85 -39.09 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.534 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.27 -50.22 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.483 ' HG3' ' CD1' ' A' ' 79' ' ' ILE . 2.0 tpp -53.87 -31.7 50.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 4.9 mt -65.97 -45.67 80.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.087 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -56.33 -58.35 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.6 -62.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' A' ' 30' ' ' PHE . 63.0 mt -46.63 -45.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.95 -34.33 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -58.42 -69.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtt . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.513 0.197 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.79 107.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.9 t -142.37 158.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -149.53 165.63 31.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.05 -179.6 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.8 -32.59 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.41 -43.04 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -61.12 -57.47 12.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -60.5 -35.03 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.59 -27.06 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -75.3 -35.58 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.515 HG21 ' CD1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -42.5 -52.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.62 -38.09 59.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -20.7 66.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.39 -37.71 19.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 1.3 p -65.11 -168.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 64.18 122.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.18 -153.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.92 52.04 2.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 3.3 mt -146.7 112.34 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLU . 60.7 tp -65.3 -73.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -38.54 -49.76 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 12.4 tp -57.34 -51.75 68.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.13 -36.35 40.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -70.22 -49.15 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 25.9 mt -47.02 -61.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' MET . 19.4 m-85 -44.19 -40.63 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.88 -59.43 3.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.7 mmt180 -84.41 -48.12 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -42.73 -27.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.64 -40.22 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tt0 -63.78 -21.47 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -25.59 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' OE1' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mp0 -117.46 -77.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CD1' HG21 ' A' ' 12' ' ' ILE . 13.4 t80 -41.74 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' MET . 6.4 tt0 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.4 t-160 -155.01 55.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 29.4 mt -57.15 -162.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -160.37 150.74 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.564 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 4.8 t0 -41.9 -63.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -57.76 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' SER . 13.6 mt-10 -81.88 -14.95 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.8 mt -75.97 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 32.8 t -41.42 -60.26 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -50.05 -48.43 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -62.72 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 33.0 t -66.96 -22.83 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 1.4 tp10 -83.14 -43.91 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.469 HD11 ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -75.17 -38.54 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.8 mt -64.03 -37.25 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -39.78 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -71.81 156.72 39.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 160.02 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' CB ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -53.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.87 -57.04 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.01 -49.09 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 23' ' ' LEU . 8.5 tp -54.6 -55.98 23.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 23' ' ' LEU . 3.3 tp -52.37 -63.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' HB2' ' CB ' ' A' ' 64' ' ' HIS . . . -48.7 -43.46 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.1 mt -50.68 -60.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.56 -47.64 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.54 -26.73 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 106.25 19.24 10.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.19 -85.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.608 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.28 166.65 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.25 171.37 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 t -132.93 122.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.11 34.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 19.8 mttm -147.52 116.91 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.52 89.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -10.88 59.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 mt -97.09 -24.09 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.21 -49.71 8.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -36.39 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.519 ' SD ' ' CB ' ' A' ' 45' ' ' GLU . 27.9 mmt -69.54 -22.35 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -74.93 -35.94 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -57.98 6.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -53.57 -56.85 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 49' ' ' ILE . 52.8 mt -55.55 -45.54 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -52.61 -44.3 65.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -59.55 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.538 0.209 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.86 81.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 2.9 t -137.71 148.91 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.637 ' CE1' ' CD1' ' A' ' 43' ' ' LEU . 0.1 OUTLIER 179.18 83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' ASP . 24.3 m-20 -134.26 177.47 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' ASP . 46.3 m-20 -39.74 -47.77 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' LYS . 2.9 mp -55.27 -57.79 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.54 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -61.17 -61.19 2.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -29.37 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -59.22 -52.72 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -44.33 -52.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 ttm180 -70.56 -55.75 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -47.3 -39.79 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -58.74 -49.49 77.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.425 HG21 ' CD1' ' A' ' 27' ' ' PHE . 31.2 p -65.99 168.97 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -163.5 25.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.3 ptm180 37.79 30.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . -37.3 -42.01 0.81 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD2' HD21 ' A' ' 58' ' ' LEU . 5.1 mp -123.79 150.72 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.24 -66.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.77 -40.02 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -58.82 -53.23 60.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -36.78 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.74 -53.5 50.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 30' ' ' PHE . 5.1 mt -50.33 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 14.5 m-85 -48.29 -21.47 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.93 -52.46 3.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -86.21 -70.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -36.42 -45.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.618 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -64.52 -50.9 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.84 -29.05 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.28 -27.66 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.53 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -86.7 -70.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 31' ' ' MET . 34.6 t80 -46.79 -41.98 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -10.3 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -122.55 -8.84 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD13 ' CZ ' ' A' ' 46' ' ' PHE . 38.1 mt -60.27 -171.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.2 m -164.2 169.07 18.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.584 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 7.8 t0 -48.32 -57.82 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -64.9 -34.97 79.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -65.09 -46.6 80.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.637 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 7.8 mt -40.22 -38.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -59.17 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' GLU . 21.6 mt-10 -49.71 -61.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -44.42 -43.9 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -29.56 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -79.8 -37.37 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -75.26 -49.0 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' HG23 ' A' ' 49' ' ' ILE . 48.1 mt -49.96 -26.36 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.8 mm-40 -36.97 -34.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.617 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 2.7 m-85 -83.35 149.92 26.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.6 173.74 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -59.79 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.05 -44.52 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 22.1 tp -51.5 -61.13 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 20' ' ' LEU . 4.5 tp -46.27 -61.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.31 -45.43 34.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.617 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 4.7 mt -53.54 -44.13 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.53 -56.42 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.41 -25.59 50.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.32 30.46 5.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.47 -86.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 0.0 109.623 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -62.44 174.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -119.1 168.42 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 t -126.77 120.88 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.06 29.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.99 120.68 17.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -72.96 -1.31 55.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -88.48 -11.12 46.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 76' ' ' LEU . 0.9 OUTLIER -109.28 -38.1 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.85 -49.53 10.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -64.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.517 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.09 -23.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 20.5 mt -71.35 -42.76 68.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -59.68 -58.77 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -53.46 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 30' ' ' PHE . 20.7 mt -49.9 -50.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 61.5 ttt180 -54.26 -35.68 62.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -61.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.543 0.211 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.8 ttm -165.93 62.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.39 151.15 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.664 ' CE2' ' CD1' ' A' ' 43' ' ' LEU . 9.0 p90 -146.99 169.5 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.87 -177.55 5.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -43.25 -48.11 6.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -50.45 -50.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -54.22 -49.67 68.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.81 -58.95 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -47.72 -39.48 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' GLN . 8.3 tttt -52.6 -53.48 46.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -40.43 -50.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.4 ttt180 -74.92 -55.31 5.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -48.73 -22.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 6.7 mm-40 -80.68 -56.51 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 27' ' ' PHE . 69.8 p -44.87 -67.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 61.57 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -74.27 56.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.09 -26.3 74.11 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' LEU . 1.5 mp -136.02 131.68 35.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . 56.7 tp -37.86 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -37.61 -52.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.645 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -51.06 -57.07 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 16.2 t0 -46.73 -42.54 16.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.1 mt -70.08 -53.72 16.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 mt -43.48 -62.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.645 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 36.5 m-85 -46.41 -24.15 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.62 -56.57 22.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -83.99 -29.67 26.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -63.9 -41.45 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.505 ' CA ' ' HB3' ' A' ' 35' ' ' PHE . 25.9 mtm -68.51 -56.0 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 36' ' ' GLU . 3.7 tt0 -46.36 -24.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -58.78 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -75.21 -75.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -41.8 -23.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.2 tp10 -33.32 -71.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.99 57.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 46' ' ' PHE . 97.3 mt -56.42 134.94 54.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.4 ' OG ' ' OE1' ' A' ' 42' ' ' GLU . 2.9 m -72.24 169.53 15.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.571 ' HA ' ' CE1' ' A' ' 4' ' ' PHE . 47.0 t0 -66.83 -53.08 36.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -64.62 -39.51 93.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' OE1' ' OG ' ' A' ' 39' ' ' SER . 6.6 mt-10 -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.664 ' CD1' ' CE2' ' A' ' 4' ' ' PHE . 14.4 mt -55.93 -45.58 78.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 t -49.98 -45.44 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 23.2 mm-40 -58.31 -60.88 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -45.21 -44.59 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -32.03 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 4.8 mm-40 -77.43 -39.26 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.446 HG13 ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.21 -51.53 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 51' ' ' GLU . 7.1 mt -46.89 -25.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.9 mm-40 -37.25 -38.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.588 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 1.6 m-85 -84.33 150.94 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.76 177.07 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -50.38 -55.98 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -46.08 -60.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.3 mm-40 -59.02 -51.13 71.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 tp -48.76 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' A' ' 23' ' ' LEU . 5.7 tp -47.65 -60.18 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.65 -48.4 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.588 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -50.2 -63.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.6 mt -50.12 -48.02 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.4 -36.17 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.65 25.16 3.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -77.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 160.52 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.58 169.93 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 t -115.13 123.56 49.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.6 36.44 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.77 126.6 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.72 -6.96 87.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 75' ' ' MET . 39.0 m-70 -82.62 -2.92 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 76' ' ' LEU . 13.1 mt -104.45 -33.52 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.1 mt -41.65 -49.04 10.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -38.35 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.514 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 15.4 mmt -68.21 -20.78 64.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 80' ' ' ARG . 7.7 mt -76.51 -47.3 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -52.68 -49.06 66.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -66.25 -58.83 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.557 HG12 ' CZ ' ' A' ' 46' ' ' PHE . 25.5 mt -56.62 -68.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -38.04 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.02 -60.57 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.52 0.2 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 176.88 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -143.04 161.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 40' ' ' ASP . 1.4 p90 -118.54 161.52 19.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.6 m-20 -142.05 -176.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -43.34 -39.92 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.06 -46.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -60.17 -36.7 78.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -57.53 -59.77 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -44.59 -40.31 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.5 -48.82 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.586 HD12 ' CD2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -41.37 -52.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.3 mtt180 -76.01 -51.58 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -46.18 -25.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.46 -45.04 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.571 HG21 ' CD1' ' A' ' 27' ' ' PHE . 76.8 p -70.08 -174.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 2.3 mtt-85 58.54 154.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 2.9 ttt-85 79.94 82.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . 165.1 -51.3 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 1.3 mp -144.31 146.94 32.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.28 -71.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -39.79 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.624 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -54.47 -55.91 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -46.4 -36.8 6.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.69 -55.26 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 13.6 mt -40.5 -61.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -43.16 -43.4 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' GLU . . . -42.25 -58.04 3.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.4 mtm180 -86.92 -49.52 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -36.98 -46.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -77.4 -58.48 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -44.58 -25.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' MET . 1.4 mttm -96.94 -32.82 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' HIS . 63.6 mm-40 -97.59 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 31' ' ' MET . 0.8 OUTLIER -38.25 -31.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.3 tm-20 -66.48 -44.6 82.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' GLU . 39.9 m170 -87.64 -22.7 24.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 46' ' ' PHE . 19.5 mt -46.48 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -163.78 160.28 22.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . 1.9 t70 -36.9 -60.05 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.1 -53.54 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -56.65 -49.51 74.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.524 HD13 ' CE2' ' A' ' 4' ' ' PHE . 4.0 mt -42.84 -46.69 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -37.2 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.7 OUTLIER -74.9 -54.6 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -48.1 -41.46 26.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 t -60.93 -23.44 65.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.56 -46.15 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -71.06 -46.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' CD2' HG22 ' A' ' 16' ' ' THR . 77.2 mt -49.76 -31.81 12.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -37.49 -34.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' CD1' ' A' ' 60' ' ' LEU . 2.2 m-85 -82.59 149.31 27.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.69 170.23 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.65 -58.78 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.27 -61.21 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.5 mm-40 -53.44 -50.82 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 23' ' ' LEU . 45.7 tp -51.29 -60.43 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.8 tp -52.54 -60.58 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' CB ' ' CB ' ' A' ' 64' ' ' HIS . . . -48.06 -44.39 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.596 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 mt -49.79 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.91 -45.7 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.81 -34.6 77.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 112.49 23.97 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.487 ' CB ' ' CB ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -81.57 -83.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.3 t -59.7 175.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -121.01 161.36 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.568 ' CG2' ' O ' ' A' ' 67' ' ' THR . 4.8 t -137.53 98.03 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.94 39.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 9.2 mttt -131.69 109.49 10.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.79 -13.95 53.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -87.5 1.25 54.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' C ' ' HD2' ' A' ' 74' ' ' PRO . 50.0 mt -115.81 -41.17 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -38.34 -50.24 3.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.503 ' SD ' ' CB ' ' A' ' 45' ' ' GLU . 5.7 mmt -48.43 -24.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.8 mt -74.0 -35.68 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -62.43 -54.8 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' NZ ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -60.97 -54.48 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.488 HG23 ' CE1' ' A' ' 30' ' ' PHE . 40.9 mt -56.21 -43.07 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.4 tmm_? -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -52.04 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mtt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.473 0.178 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.36 168.31 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 t -79.32 148.81 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -179.49 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' ALA . 13.2 m-20 -132.32 176.18 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -32.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -62.03 -52.46 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -43.93 -35.14 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -54.98 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -54.4 -46.83 73.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -48.63 -49.3 37.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -39.6 -55.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 9.5 mtp180 -75.94 -51.64 11.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -41.87 -28.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -66.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.59 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 74.4 p -43.63 -60.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -34.14 126.86 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -159.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.03 20.87 26.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 23.1 tp -65.43 -76.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -35.27 -54.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.703 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -50.94 -55.84 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -36.3 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLY . 7.5 mt -75.93 -51.43 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 22.1 mt -44.25 -54.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.703 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 62.2 m-85 -50.78 -28.65 9.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -56.94 -74.08 0.37 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 2.9 ptm180 -57.2 -23.0 44.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 1.3 t80 -75.95 -46.37 30.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.51 ' CB ' ' HB3' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -71.67 -41.61 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.43 -27.17 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.76 -49.32 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 63.9 mm-40 -79.8 -77.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -39.88 -27.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -36.32 -65.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -141.35 56.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 46' ' ' PHE . 38.5 mt -55.73 -165.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -162.38 154.25 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.43 -56.3 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.06 68.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.4 mm-40 -85.18 -13.23 50.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' SER . 12.7 mt -76.14 -51.0 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.2 -61.39 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -49.46 -52.74 27.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -54.2 -48.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.37 -40.78 93.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -66.53 -41.14 89.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -75.13 -52.25 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 16' ' ' THR . 34.9 mt -45.98 -27.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.3 mm-40 -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -82.8 152.36 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 176.07 8.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' CA ' HD21 ' A' ' 23' ' ' LEU . 8.0 m-20 -62.42 -60.75 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -42.08 -51.94 4.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 11.2 mm-40 -67.85 -41.06 83.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 23' ' ' LEU . 40.6 tp -57.61 -61.84 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 23' ' ' LEU . 6.9 tp -43.13 -58.72 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLY . . . -52.53 -49.82 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' GLY . 3.1 mt -51.55 -63.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.92 -43.6 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -66.96 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.83 25.95 4.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.549 1.156 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.58 -82.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.547 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 174.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.35 171.88 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 67' ' ' THR . 1.0 OUTLIER -122.35 120.31 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.25 0.89 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 22.9 mttp -120.26 103.7 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.3 -8.03 48.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' MET . 3.6 m80 -73.76 -5.01 38.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.578 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CD2' HG13 ' A' ' 49' ' ' ILE . 2.9 mt -104.84 -20.78 13.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -44.51 -47.4 26.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.05 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.475 ' HE1' ' CE ' ' A' ' 78' ' ' LYS . 33.8 mmm -55.7 -22.5 23.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.9 mt -75.88 -31.74 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.45 -56.79 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -55.41 -49.52 72.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CD1' HD12 ' A' ' 49' ' ' ILE . 79.2 mt -63.47 -67.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 24.6 ttp180 -37.71 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.38 -65.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.23 64.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.75 162.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CE1' ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -153.33 129.96 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -161.58 177.47 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.13 -44.43 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.9 mp -55.22 -52.16 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.02 2.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -60.7 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -44.52 -44.98 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -49.46 -41.39 40.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.53 HD12 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -49.68 -52.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.58 -50.86 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.24 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.61 -25.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -84.65 -53.6 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 33.3 p -57.2 -163.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.0 150.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 71.94 -179.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 54' ' ' ASP . . . 48.86 97.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER 66.01 110.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -57.85 -44.95 86.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.64 -43.48 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -58.71 -33.71 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -68.45 -39.82 81.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.2 mt -68.8 -49.52 57.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 39.8 mt -40.58 -52.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 18.1 m-85 -53.28 -40.9 65.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -41.96 -50.77 5.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.49 -51.66 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -42.82 -33.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.416 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 mtt -83.97 -53.8 5.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.93 -27.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.92 -54.23 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 23.9 mt-10 -75.76 -75.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' GLU . 1.2 t80 -40.95 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLU . 12.3 tt0 -34.22 -55.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -153.53 53.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.688 ' CD1' ' CE2' ' A' ' 46' ' ' PHE . 53.8 mt -58.61 142.68 48.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.65 167.05 22.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.7 t0 -64.29 -58.03 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -59.04 -38.71 79.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' A' ' 78' ' ' LYS . 1.1 tp10 -61.93 -44.9 95.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.687 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 9.1 mt -45.88 -46.73 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -58.26 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -48.93 -57.79 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -47.46 -56.46 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 t -61.43 -24.96 66.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 2.1 tp10 -78.84 -43.34 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CG1' ' HB3' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.86 -46.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 51' ' ' GLU . 76.9 mt -52.19 -31.38 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.6 mt-10 -35.21 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LEU . 10.1 m-85 -85.87 147.88 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.45 160.79 30.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 5.0 m-20 -51.52 -46.33 63.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.484 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.8 tm0? -45.26 -59.97 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.77 -61.29 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 5.2 tp -50.55 -60.3 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -50.28 -45.4 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -60.59 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -53.2 -43.23 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.99 -22.04 66.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.14 31.25 6.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.95 -89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.59 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.2 m -60.58 171.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -117.85 172.38 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.6 t -120.4 120.56 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.05 -0.88 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.5 mptt -128.89 114.68 16.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 -5.06 45.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -83.19 3.75 29.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' LEU . 10.7 mt -108.54 -39.12 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.13 -50.46 8.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.6 -22.64 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.5 mt -75.27 -35.12 61.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -62.55 -55.59 25.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -58.17 -36.6 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 75' ' ' MET . 63.1 mt -71.32 -56.02 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -39.16 -50.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -51.52 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.492 0.187 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.39 167.55 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.48 162.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -75.01 139.57 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.527 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 69.1 m-20 -165.95 -177.33 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -47.55 -34.65 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -74.95 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 4' ' ' PHE . . . -48.5 -34.24 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.23 -26.19 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 15' ' ' GLN . 2.4 mmtp -74.91 -40.5 60.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.583 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -42.67 -50.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.8 mtt180 -75.58 -45.45 37.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.53 -16.87 27.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.53 -58.88 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.568 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 65.4 p -44.44 -56.5 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 132.67 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.3 -152.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 44.32 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 54' ' ' ASP . 5.7 mp -140.66 107.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.54 -69.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -56.22 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 6.5 tp -50.04 -40.61 45.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -36.32 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' ILE . 1.0 OUTLIER -75.41 -50.46 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 34.5 mt -40.36 -61.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 46.5 m-85 -43.66 -45.05 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.3 -51.35 5.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.5 mmt180 -85.59 -52.98 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -46.29 -49.4 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' PHE . 95.7 mtp -60.69 -50.91 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.22 -23.28 67.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.46 -12.21 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' HIS . 18.7 mm-40 -128.59 -75.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CE1' HG21 ' A' ' 12' ' ' ILE . 38.7 t80 -40.67 -34.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -38.91 90.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -92.12 -15.35 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.569 ' CD1' ' CD2' ' A' ' 46' ' ' PHE . 17.4 mt -54.43 -169.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 43' ' ' LEU . 15.2 m -164.25 177.28 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.574 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -51.71 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -65.39 -20.75 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 3.9 mt-10 -85.07 -12.51 52.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 4' ' ' PHE . 2.3 mt -71.99 -38.24 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 m -53.43 -59.31 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 7.4 pt-20 -47.7 -43.72 26.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.583 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -60.96 -57.87 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -26.14 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -74.38 -41.12 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.63 -41.16 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 46' ' ' PHE . 69.2 mt -64.37 -14.83 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . 3.4 mm-40 -36.39 -35.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 60' ' ' LEU . 10.8 m-85 -78.81 145.81 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 1.6 mp0 -65.99 175.19 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' CB ' HD22 ' A' ' 23' ' ' LEU . 5.1 m-20 -64.25 -48.66 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.91 67.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.69 -52.2 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.517 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 14.9 tp -45.19 -61.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.478 ' CD1' HD12 ' A' ' 23' ' ' LEU . 5.8 tp -42.78 -57.21 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -49.6 -49.47 46.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -49.32 -63.65 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -47.71 -44.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.92 -29.89 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 109.66 29.06 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -90.85 -85.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.621 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -54.89 165.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 162.82 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 67' ' ' THR . 3.6 t -137.8 98.31 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.59 36.71 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 33.3 mmtt -128.18 105.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -60.89 -13.11 31.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.412 ' O ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -85.57 1.81 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.566 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' LEU . 10.8 mt -123.6 -40.47 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -39.88 -50.18 5.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.45 ' HA ' ' CG ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -47.37 -22.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 72' ' ' LEU . 12.0 mt -71.56 -47.72 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 2.3 mm-40 -55.35 -56.7 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -56.15 -64.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.548 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 62.5 mt -48.15 -51.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 2.0 ttt-85 -47.89 -48.05 31.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -57.58 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.509 0.195 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttp -97.76 75.68 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.83 154.16 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 43' ' ' LEU . 3.5 t80 -155.05 124.88 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -172.59 167.05 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.21 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 5' ' ' ASP . 42.5 mm -72.76 -49.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.5 -34.84 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -66.31 -61.22 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -61.55 -23.56 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' GLN . 9.8 tptt -75.15 -57.27 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -44.89 -48.06 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 ttp180 -61.58 -57.13 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -65.37 -9.5 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.35 -18.28 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.593 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 82.4 p -85.33 -44.5 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -37.92 141.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.24 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 8.1 ttt180 83.98 140.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 -63.51 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -151.57 137.94 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.37 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.57 -44.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.696 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -53.36 -54.93 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.85 -37.33 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -74.54 -50.78 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.504 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 18.7 mt -45.0 -49.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.696 ' CE2' ' CD1' ' A' ' 23' ' ' LEU . 57.5 m-85 -56.92 -41.4 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -41.69 -42.84 3.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -51.43 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -47.79 -40.42 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.615 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -66.22 -40.98 90.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.2 tt0 -59.85 -24.8 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -96.55 -54.0 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 72.6 mm-40 -75.43 -77.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.31 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.1 tt0 -34.68 -67.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -142.4 56.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 46' ' ' PHE . 42.8 mt -55.03 -167.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -161.76 157.53 24.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' SER . 6.4 t0 -39.42 -63.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.32 -48.08 9.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -55.72 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 4' ' ' PHE . 6.9 mt -41.81 -51.18 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -59.7 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mp0 -68.12 -57.21 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -41.84 -47.65 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -63.37 -36.5 83.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' GLU . 34.4 mm-40 -64.49 -43.61 93.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.57 -43.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' HG12 ' A' ' 12' ' ' ILE . 70.6 mt -60.89 -35.59 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -38.63 -33.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.4 m-85 -78.28 152.57 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -78.81 164.96 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 3.9 m-20 -54.51 -57.57 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -43.27 -55.06 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.12 -40.54 94.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 23' ' ' LEU . 47.4 tp -56.7 -61.7 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -47.83 -57.04 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 64' ' ' HIS . . . -51.14 -46.87 62.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.49 -60.05 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.04 -45.89 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.93 -29.95 68.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 107.57 27.86 5.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -88.42 -87.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 0.0 109.595 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.7 t -59.12 174.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.8 mp0 -121.78 171.19 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -119.86 120.73 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -90.86 20.71 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 68' ' ' ASP . 23.7 mmtt -140.15 118.18 11.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.99 -9.3 66.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -79.09 -3.22 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 76' ' ' LEU . 19.1 mt -105.17 -37.88 6.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -35.68 -51.48 1.47 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -58.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.5 -28.46 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.525 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 6.0 mt -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 mm-40 -58.63 -54.41 47.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.47 -50.59 64.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 75' ' ' MET . 60.5 mt -58.71 -68.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.83 -29.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -46.99 -57.0 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.23 -25.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -69.6 -54.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.94 -32.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -61.63 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -29.0 69.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ILE . 4.1 tttm -61.18 -55.5 31.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.69 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.08 -49.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 mtt180 -75.06 -57.44 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.91 -27.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.52 -47.14 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.703 HG22 HD22 ' A' ' 50' ' ' LEU . 23.6 p -62.57 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 63.87 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -166.49 -149.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.37 37.76 3.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 58' ' ' LEU . 7.6 mp -137.79 107.33 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' ASP . 36.3 tp -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' CD ' HD11 ' A' ' 26' ' ' ILE . 1.8 tm-20 -46.24 -48.74 17.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.955 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.1 tp -61.46 -29.49 70.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.0 t70 -73.01 -32.39 65.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.0 mt -74.93 -48.39 24.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 23' ' ' LEU . 14.7 mt -44.86 -62.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 26.7 m-85 -42.13 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.94 -61.51 2.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -48.13 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 1.004 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.51 -59.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.66 -58.31 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -47.26 -24.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -46.3 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -85.22 -69.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' MET . 83.0 t80 -39.61 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.62 82.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' GLU . 23.8 m80 -86.01 -40.88 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD11 ' HB3' ' A' ' 34' ' ' GLU . 79.9 mt -44.65 111.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -76.03 169.35 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.979 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.1 m-20 -42.9 -54.45 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -54.83 -55.88 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.21 -43.63 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 40' ' ' ASP . 12.5 mt -52.42 -28.25 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.4 mm-40 -67.69 -45.82 74.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.69 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -45.7 -41.23 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.514 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 44.5 t -63.38 -32.0 73.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.873 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.3 mt-10 -67.13 -44.1 80.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.19 -44.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 16' ' ' THR . 81.0 mt -59.22 -37.69 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.8 mm-40 -39.1 -38.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.29 156.18 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.35 174.86 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.61 ' CB ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -68.37 -53.37 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.05 -58.9 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.31 -48.25 62.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB3' HD21 ' A' ' 23' ' ' LEU . 37.6 tp -52.47 -60.58 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 20' ' ' LEU . 4.9 tp -50.63 -62.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.928 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.02 -46.37 33.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.9 mt -47.36 -63.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 mt -49.6 -47.98 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -59.38 -28.13 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.98 25.22 6.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.928 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -84.79 -81.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.602 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -66.01 175.19 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.51 172.34 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.1 t -124.48 120.83 33.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -92.63 36.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 tptt -152.38 126.11 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.07 -6.51 88.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -14.54 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.873 HD21 ' HB3' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -98.3 -21.99 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -44.87 -48.5 29.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.97 -46.11 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 49' ' ' ILE . 1.9 tpp -57.07 -34.58 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.0 mt -64.9 -46.27 82.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.69 -54.9 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' MET . 14.5 ptpt -65.15 -58.53 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 1.004 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 50.9 mt -52.13 -67.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.8 tmm_? -40.0 -34.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -56.04 -67.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -40.4 -40.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mt -55.62 -51.27 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -50.22 -42.85 52.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -51.28 -56.86 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -44.1 -43.43 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -53.14 -45.96 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.92 -53.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -76.32 -51.67 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.27 -23.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.19 -46.61 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 12' ' ' ILE . 22.0 p -60.89 -166.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 46.57 -175.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 2.3 ttt180 53.58 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.911 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 142.58 -55.22 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.911 HD22 ' O ' ' A' ' 19' ' ' GLY . 1.6 mm? -143.24 142.43 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.43 -70.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -39.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -55.06 -56.46 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -45.84 -35.47 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.5 mt -75.45 -55.73 5.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 16.0 mt -38.94 -58.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 23' ' ' LEU . 45.9 m-85 -47.47 -42.95 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -42.22 -50.41 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -85.38 -58.08 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -38.23 -33.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' PHE . 29.4 mtp -80.64 -56.44 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -46.71 -24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -91.82 -49.57 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 2.7 mp0 -88.52 -71.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' A' ' 38' ' ' LEU . 11.4 t80 -42.33 -22.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 14.0 pt-20 -34.19 -49.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.53 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -158.4 49.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.641 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -57.1 130.17 44.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.484 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.9 m -75.35 -175.16 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -72.23 -58.44 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -57.12 -32.86 66.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -50.65 60.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 40' ' ' ASP . 5.5 mt -48.99 -49.47 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.35 -58.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -53.75 -52.27 60.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -48.66 -53.0 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -61.78 -28.81 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.051 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -77.07 -40.53 45.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -76.62 -46.94 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 46' ' ' PHE . 72.8 mt -55.27 -19.12 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.6 mm-40 -37.0 -35.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -85.6 153.02 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.54 174.22 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -51.92 -63.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.66 ' CA ' HD23 ' A' ' 20' ' ' LEU . 4.0 tm0? -42.81 -61.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -54.68 -45.37 73.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -55.14 -60.63 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.833 HD13 HD22 ' A' ' 23' ' ' LEU . 4.0 tp -47.02 -61.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.7 -46.01 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.6 mt -53.28 -60.93 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.3 mt -47.98 -48.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -59.87 -29.98 68.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.04 12.55 17.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.591 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.33 -80.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.605 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.538 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -63.21 164.13 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -117.0 167.9 10.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.899 ' OG1' HD12 ' A' ' 72' ' ' LEU . 5.5 t -116.43 122.41 44.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -80.97 7.67 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 117.68 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.48 -2.44 42.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -80.92 -2.13 46.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.564 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.899 HD12 ' OG1' ' A' ' 67' ' ' THR . 4.7 mt -108.84 -31.59 7.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.39 -49.96 9.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -75.07 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.881 ' O ' HD12 ' A' ' 79' ' ' ILE . 38.2 mmt -54.95 -26.15 34.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.1 mt -72.39 -35.5 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.05 -55.97 20.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -57.12 -60.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.881 HD12 ' O ' ' A' ' 75' ' ' MET . 13.7 mt -50.41 -52.59 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ttt85 -46.81 -44.61 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -62.66 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ASP . 5.6 m-20 -40.64 -38.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.2 -52.73 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.75 -49.31 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -51.23 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -42.32 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLN . 5.0 ttpt -55.95 -42.08 75.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -47.95 -52.51 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.488 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -73.53 -40.52 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.65 -16.64 63.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -85.44 -44.53 12.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.875 HG22 HD22 ' A' ' 50' ' ' LEU . 7.6 p -57.53 -167.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -179.85 145.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 ptm180 -85.16 42.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -50.79 -30.28 21.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 20' ' ' LEU . 1.6 mm? -130.55 164.85 23.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.96 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -43.48 -45.21 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.946 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -52.06 -57.75 8.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 15.9 t0 -46.03 -39.39 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.0 mt -74.95 -44.43 48.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.6 mt -44.87 -61.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.517 ' CE2' HD12 ' A' ' 23' ' ' LEU . 21.4 m-85 -53.56 -18.67 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -69.38 -54.24 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.34 -48.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 7.7 t80 -38.8 -66.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG2' ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -48.5 -53.35 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -44.85 -27.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -50.62 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 1.1 mp0 -76.25 -73.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -41.25 -25.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.5 tp10 -34.58 -61.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.86 54.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.599 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 46' ' ' PHE . 41.4 mt -55.68 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -162.48 156.1 20.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -39.05 -50.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -50.16 -56.2 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.19 -41.18 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -46.53 -43.64 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -59.59 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 75' ' ' MET . 8.1 mt-10 -57.15 -61.48 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.51 -61.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -46.54 -26.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.63 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.854 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -44.37 -33.0 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 HG22 ' A' ' 16' ' ' THR . 42.4 mt -68.17 -46.35 70.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLU . 3.2 mm-40 -38.45 -34.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -70.96 152.32 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 171.93 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -63.16 -59.95 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.76 -56.65 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.42 -42.4 99.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.946 HD23 HD11 ' A' ' 23' ' ' LEU . 56.4 tp -57.61 -61.17 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.812 HD13 HD22 ' A' ' 23' ' ' LEU . 4.8 tp -48.4 -61.73 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.01 -44.54 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 52' ' ' PHE . 3.3 mt -54.0 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -47.35 -49.42 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.37 -33.71 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.59 27.61 4.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.658 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -88.18 -84.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -53.8 176.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.88 167.87 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -133.07 121.24 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.03 35.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' HD12 ' A' ' 72' ' ' LEU . 71.0 mmtt -145.23 119.05 9.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.49 -4.86 89.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -20.11 53.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.786 . . . . 0.0 109.631 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 48' ' ' GLU . 1.7 mt -93.35 -24.16 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.2 -48.92 8.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.03 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.8 -30.23 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 76' ' ' LEU . 6.4 mt -67.28 -31.86 72.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' PRO . 5.1 mm-40 -71.44 -53.45 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -65.21 -42.91 93.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.754 ' CD1' HD13 ' A' ' 49' ' ' ILE . 66.4 mt -63.58 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.71 -22.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' ALA . 5.3 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 7' ' ' ILE . 2.8 p30 -43.63 -27.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 70.3 mt -65.79 -49.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.69 -24.76 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -58.53 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -44.94 -38.56 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ILE . 35.5 mmtt -53.84 -53.07 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.667 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -40.26 -50.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.26 -53.75 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -44.56 -25.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -51.45 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.611 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 20.9 p -56.45 -166.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 59.51 165.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.2 mtp180 67.42 176.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.927 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 73.58 -55.01 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.004 HD23 HD22 ' A' ' 58' ' ' LEU . 3.7 mp -143.35 136.86 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.22 -63.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.2 -41.95 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.38 -53.01 50.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -49.02 -37.69 21.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -72.46 -48.99 36.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 23' ' ' LEU . 30.6 mt -46.67 -52.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.4 m-85 -53.95 -40.3 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.56 -49.29 5.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -85.19 -55.59 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.76 -59.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.58 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.1 -25.23 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -92.29 -57.89 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' C ' ' N ' ' A' ' 36' ' ' GLU . 31.9 mm-40 -75.63 -74.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' HA ' HD12 ' A' ' 38' ' ' LEU . 1.3 t80 -44.96 -19.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 7.9 pt-20 -34.2 -48.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -157.94 48.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.831 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -59.49 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.7 t -163.07 -176.23 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' N ' ' OG ' ' A' ' 39' ' ' SER . 15.7 t0 -52.3 -61.23 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -38.91 -56.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.711 ' HB3' HD22 ' A' ' 38' ' ' LEU . 24.1 mm-40 -64.3 -43.76 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -46.76 -45.38 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -59.49 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 46.7 mm-40 -61.18 -58.45 8.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.831 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -45.91 -54.63 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.5 t -62.77 -20.63 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -84.59 -41.57 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.6 -48.58 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 12' ' ' ILE . 56.8 mt -49.76 -24.04 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.1 -34.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -83.52 154.34 23.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 169.35 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.645 ' O ' HD23 ' A' ' 23' ' ' LEU . 5.1 m-20 -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.664 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -54.08 -56.37 18.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 13.5 mm-40 -63.56 -41.08 98.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 23' ' ' LEU . 54.8 tp -52.52 -61.18 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.004 HD22 HD23 ' A' ' 20' ' ' LEU . 3.5 tp -47.37 -62.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.79 -45.75 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -54.99 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.9 mt -48.69 -47.26 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -58.45 -36.08 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.4 21.36 5.53 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.99 -86.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 176.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.64 168.61 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.457 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.2 t -121.76 120.9 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -91.19 33.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 80.8 mttt -151.71 120.39 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.51 -3.65 78.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -86.49 -7.37 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HG13 ' A' ' 49' ' ' ILE . 4.4 mt -105.0 -33.63 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -42.05 -49.92 11.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.575 ' O ' HD12 ' A' ' 79' ' ' ILE . 83.9 mmm -53.55 -21.43 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.3 mt -75.34 -41.08 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.39 -51.48 68.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -63.24 -58.61 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.6 HG23 ' CE1' ' A' ' 30' ' ' PHE . 65.5 mt -52.22 -50.82 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -46.23 -48.01 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -57.78 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -49.86 -47.23 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.9 mp -54.37 -50.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.36 -50.86 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -46.23 79.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -52.68 -43.73 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.5 tptt -55.38 -47.58 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -39.78 -54.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -74.58 -48.02 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -51.12 -22.52 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.4 mm-40 -85.08 -48.93 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p -56.26 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 175.31 161.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CA ' ' HB2' ' A' ' 24' ' ' ASP . 25.5 ptt180 -96.14 20.09 10.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -36.94 -67.5 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 54' ' ' ASP . 4.2 mm? -90.91 130.44 36.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' LEU . 49.7 tp -39.64 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -38.89 -48.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.92 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -52.47 -55.88 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CA ' ' A' ' 18' ' ' ARG . 24.2 t0 -47.51 -39.87 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 6.4 mt -74.29 -46.28 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 23' ' ' LEU . 51.9 mt -44.39 -61.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 23' ' ' LEU . 28.4 m-85 -50.29 -21.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -60.06 -60.25 8.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -85.58 -47.06 10.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 79' ' ' ILE . 12.1 t80 -38.74 -66.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.31 -46.56 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.56 -29.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -94.87 -45.21 7.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.02 -74.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CB ' ' CG ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -42.32 -25.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -34.98 -57.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.88 50.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 34' ' ' GLU . 36.5 mt -48.2 140.24 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -74.2 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.09 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -65.08 -42.86 93.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 47.9 mt-10 -62.26 -42.7 99.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 12' ' ' ILE . 11.8 mt -48.29 -55.26 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.5 -53.13 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 5.7 mm-40 -53.78 -57.8 9.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.61 -42.78 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -36.87 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.9 mt-10 -72.47 -39.92 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.57 -49.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 49' ' ' ILE . 47.4 mt -50.99 -23.46 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.8 mm-40 -37.72 -34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 60' ' ' LEU . 3.3 m-85 -81.66 149.06 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -85.06 -178.74 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.664 ' HB2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.06 -62.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -44.9 -59.9 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 36.7 mt-10 -56.55 -55.02 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 23' ' ' LEU . 46.6 tp -47.19 -59.43 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.92 HD13 HD22 ' A' ' 23' ' ' LEU . 5.8 tp -46.51 -59.46 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.932 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.66 -48.26 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 52' ' ' PHE . 3.8 mt -50.85 -44.41 59.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.13 -54.9 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.65 -32.4 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.79 27.46 3.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.932 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.31 -85.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.608 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.16 167.78 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -127.67 172.7 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.998 ' OG1' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.39 122.57 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 23.06 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -136.83 117.56 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.02 -6.42 56.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.15 -4.3 46.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.998 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.5 mt -105.56 -33.89 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.525 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -37.1 -50.83 2.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.799 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -48.85 -22.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 8.1 mt -75.46 -40.42 57.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 3.6 mm-40 -60.95 -50.65 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.444 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.31 -48.98 68.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.812 HG23 ' CE1' ' A' ' 30' ' ' PHE . 59.7 mt -61.71 -67.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -43.68 -25.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.86 -71.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -40.45 -46.36 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.0 -53.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.23 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.65 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.46 -51.3 70.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -50.22 -35.91 28.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -50.84 -49.18 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 8.3 mtp180 -74.92 -40.93 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.14 -18.68 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -85.12 -55.56 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' ILE . 47.4 p -44.48 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER 68.49 113.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.77 68.32 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -65.78 -8.9 43.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.818 ' CD2' HD22 ' A' ' 58' ' ' LEU . 3.9 mp -129.31 162.7 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.56 -66.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -50.04 -38.6 38.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.74 -58.02 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.708 ' OD1' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.17 -35.29 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.708 HD23 ' OD1' ' A' ' 24' ' ' ASP . 6.8 mt -75.34 -43.68 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.4 mt -52.85 -62.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 18.6 m-85 -57.31 -40.65 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.21 -55.23 4.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -85.08 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 3.7 t80 -39.81 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' PHE . 14.1 mtp -85.36 -57.9 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -24.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HE2' ' CB ' ' A' ' 82' ' ' ALA . 1.8 ttpt -93.68 -45.12 7.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.875 ' HB3' HD21 ' A' ' 38' ' ' LEU . 71.1 mm-40 -91.99 -70.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 31' ' ' MET . 38.5 t80 -38.47 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.7 tt0 -35.3 -53.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.68 49.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 34' ' ' GLU . 30.0 mt -46.48 128.62 10.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.73 163.51 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.6 t70 -60.22 -53.74 54.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -64.97 -39.71 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.67 -39.98 95.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 40' ' ' ASP . 14.3 mt -50.89 -27.01 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -64.03 -51.62 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 78' ' ' LYS . 49.8 mt-10 -54.17 -52.89 59.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -52.35 -61.53 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' LEU . 14.1 t -47.23 -65.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 72' ' ' LEU . 3.4 tp10 -39.32 -50.94 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -67.09 -40.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 HG22 ' A' ' 16' ' ' THR . 25.5 mt -55.14 -28.58 53.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -36.76 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 60' ' ' LEU . 5.0 m-85 -84.32 149.28 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.2 -178.79 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -54.64 -62.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.5 -58.24 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 6.6 mm-40 -52.72 -51.72 59.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -56.61 -59.74 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.818 HD22 ' CD2' ' A' ' 20' ' ' LEU . 3.6 tp -47.49 -63.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' HIS . . . -48.99 -47.83 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -52.52 -62.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -50.2 -47.29 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -59.26 -23.1 62.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 98.99 27.64 8.18 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.57 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -93.81 -82.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.725 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -63.08 158.89 18.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.59 174.58 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -128.23 124.9 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -87.42 35.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -142.66 117.7 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.31 5.36 55.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -82.36 -26.38 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.609 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.705 HD21 ' CG ' ' A' ' 48' ' ' GLU . 5.3 mt -94.3 -27.58 16.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.75 -50.09 3.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.06 -32.35 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.696 ' SD ' HD23 ' A' ' 72' ' ' LEU . 52.6 mtt -69.66 -52.27 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.8 mt -43.71 -31.09 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.81 -42.21 74.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -65.44 -30.65 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.816 HG13 HD13 ' A' ' 49' ' ' ILE . 10.9 mm -60.47 -61.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -40.92 -44.5 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.72 -59.76 2.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 17.6 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -40.66 -39.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mt -57.6 -52.96 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.09 -41.13 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -54.76 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 -39.58 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -45.42 72.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -45.32 -51.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 mtp180 -75.5 -43.3 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.17 -24.19 39.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -85.11 -46.11 11.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.599 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 17.5 p -60.55 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' THR . 5.4 mtp180 52.08 173.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 61.22 137.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 108.21 -57.45 0.43 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.042 HD23 HD22 ' A' ' 58' ' ' LEU . 2.3 mp -141.86 130.84 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.49 -70.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -42.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.13 -57.04 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -39.0 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.99 -50.75 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 42.1 mt -40.82 -56.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 23.2 m-85 -49.42 -44.13 45.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -42.71 -43.81 5.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -89.13 -46.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -54.11 -30.59 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.5 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -82.49 -38.09 24.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.54 -28.01 29.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -51.41 4.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.648 ' HB3' HD21 ' A' ' 38' ' ' LEU . 14.5 mm-40 -76.13 -78.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 12' ' ' ILE . 16.0 t80 -40.36 -26.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLU . 11.4 tt0 -36.2 -63.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -144.81 57.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.544 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 68.2 mt -59.52 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -161.79 160.18 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.1 t70 -37.37 -59.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.43 75.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.3 tt0 -60.65 -30.43 69.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' SER . 15.7 mt -69.4 -45.89 68.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 p -49.74 -59.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' A' ' 75' ' ' MET . 10.7 pt-20 -54.5 -48.33 72.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -59.53 -59.02 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 t -59.92 -19.37 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.1 mt-10 -85.7 -44.64 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.771 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.16 -44.64 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 46' ' ' PHE . 6.9 mt -55.84 -19.05 10.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -37.76 -38.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -84.64 155.59 21.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.23 173.63 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 23' ' ' LEU . 30.0 m-20 -60.42 -56.71 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.681 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.31 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.32 -39.31 93.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 23' ' ' LEU . 45.5 tp -54.04 -61.53 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.042 HD22 HD23 ' A' ' 20' ' ' LEU . 2.9 tp -47.51 -59.86 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.31 -45.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 mt -52.99 -44.16 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -61.47 -57.32 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.93 -24.47 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.77 29.78 6.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.718 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.87 -84.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 t -65.74 175.07 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -116.96 165.35 13.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -122.63 123.03 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.45 36.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 tptt -149.66 119.59 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.82 -10.76 86.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 3.33 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.771 HD22 HG13 ' A' ' 49' ' ' ILE . 18.6 mt -113.91 -39.17 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.52 -51.39 3.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.0 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.705 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.9 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -75.34 -45.9 36.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.08 -47.56 65.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -61.53 -60.96 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 49' ' ' ILE . 33.4 mt -51.69 -58.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.02 -38.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -59.16 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -44.88 -31.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.38 -58.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.24 -38.89 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.19 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -53.74 -59.09 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.68 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -39.15 -45.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 15' ' ' GLN . 6.0 mtp180 -75.72 -59.64 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -27.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 13' ' ' ARG . 1.8 mm-40 -82.0 -57.79 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 13.6 p -45.3 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -36.08 123.81 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -150.9 -153.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.69 -39.51 98.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.771 HD12 HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -67.38 110.49 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASP . 15.8 tp -65.48 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -47.74 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.89 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.8 tp -52.02 -35.15 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 t70 -64.25 -27.02 68.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.72 -58.87 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 mt -40.74 -62.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 30.4 m-85 -40.05 -48.0 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.96 -49.68 6.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.2 -56.0 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.818 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.47 -51.39 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -66.1 -59.56 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.51 -24.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -94.12 -43.81 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -92.64 -72.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' MET . 24.6 t80 -38.31 -32.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -46.23 75.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t-80 -83.93 -33.76 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 42' ' ' GLU . 92.5 mt -51.12 -178.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -163.71 -174.71 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.487 ' N ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -47.73 -46.71 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.27 -67.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.765 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.6 mm-40 -54.39 -43.0 71.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -42.42 -43.89 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -57.05 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 29.7 mm-40 -61.15 -50.72 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -40.32 -52.99 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -58.92 -40.3 84.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.921 ' HB3' HD21 ' A' ' 72' ' ' LEU . 13.7 mt-10 -60.56 -44.58 96.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.848 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -74.65 -54.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 ' CD1' ' A' ' 12' ' ' ILE . 30.4 mt -43.61 -35.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.9 mt-10 -35.99 -39.81 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.6 m-85 -64.29 145.71 55.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 174.13 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.713 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.8 m-20 -70.42 -47.63 59.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.03 -60.54 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.6 -50.92 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 23' ' ' LEU . 55.5 tp -43.58 -61.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD22 HD12 ' A' ' 20' ' ' LEU . 6.3 tp -45.63 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.68 -46.92 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.3 mt -53.33 -52.42 59.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 61' ' ' ILE . 5.2 mm -48.01 -58.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.38 -34.29 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.36 26.01 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.701 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -84.23 -85.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.615 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.2 m -56.06 167.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -125.86 173.73 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 76' ' ' LEU . 1.9 t -128.55 122.41 30.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.66 38.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.834 ' HB2' HD12 ' A' ' 72' ' ' LEU . 17.4 mttt -138.14 117.89 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -13.03 74.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -18.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 48' ' ' GLU . 18.3 mt -98.12 -34.99 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -38.45 -49.92 3.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.5 Cg_endo -74.97 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 79' ' ' ILE . 96.3 mmm -48.85 -24.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' A' ' 49' ' ' ILE . 9.2 mt -75.71 -36.06 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' PRO . 3.2 mm-40 -61.42 -51.76 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 1.2 ptpm? -64.06 -54.11 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.818 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 36.0 mt -56.54 -61.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.6 ttt180 -47.43 -32.22 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -49.7 -61.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 34' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.77 -38.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.93 -55.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.89 -43.77 4.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -65.49 -42.37 92.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ILE . 9.9 tptm -50.14 -53.77 25.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -39.63 -51.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 mtt180 -75.53 -50.42 15.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.09 -30.51 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -78.92 -47.97 15.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.722 HG22 HD22 ' A' ' 50' ' ' LEU . 31.5 p -60.45 -161.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER 54.98 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 8.0 ttt85 70.36 120.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 123.75 -61.49 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -136.6 143.6 43.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.8 tp -64.17 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -43.21 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.937 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -51.13 -54.82 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.54 -37.42 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ILE . 6.9 mt -75.63 -51.25 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 23' ' ' LEU . 55.4 mt -38.36 -62.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -41.35 -55.0 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.03 -46.7 5.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -85.13 -62.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -42.27 -45.71 4.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -65.32 -37.24 86.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 31' ' ' MET . 0.6 OUTLIER -65.78 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -99.25 -3.24 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.635 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -126.65 -77.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' MET . 10.7 t80 -48.17 -32.18 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.14 -9.15 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -127.03 -41.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 34' ' ' GLU . 32.0 mt -43.7 114.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -75.77 174.59 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.2 t0 -44.28 -62.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -46.48 -57.66 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.7 mt-10 -53.44 -50.1 65.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 40' ' ' ASP . 18.5 mt -44.71 -30.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 t -60.5 -44.28 96.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 6.9 mm-40 -63.41 -59.59 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -40.97 -48.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -39.71 23.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.1 tp10 -63.74 -68.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.74 -43.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 HD13 ' A' ' 12' ' ' ILE . 56.2 mt -51.45 -36.01 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 2.1 mm-40 -37.65 -34.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -78.78 148.74 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 174.51 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 9.3 m-20 -59.45 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -56.58 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.7 -50.5 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 23' ' ' LEU . 58.1 tp -48.23 -61.06 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 23' ' ' LEU . 6.7 tp -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.853 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.29 -47.84 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 65' ' ' SER . 3.8 mt -45.17 -61.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.763 HG23 ' HG3' ' A' ' 80' ' ' ARG . 58.8 mt -49.47 -44.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.27 -34.85 77.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.68 14.72 8.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.853 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -69.06 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.08 174.53 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -123.58 168.35 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.844 ' OG1' HD12 ' A' ' 72' ' ' LEU . 4.2 t -109.69 120.86 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -90.26 36.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -161.97 129.44 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.89 -6.59 88.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -79.53 -3.67 47.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.844 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.8 mt -111.14 -25.52 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -43.19 -48.04 15.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.99 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.573 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.3 mpp? -53.21 -34.97 59.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.1 mt -64.28 -41.26 96.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -57.25 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CE ' ' SD ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -64.63 -53.01 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.708 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 54.3 mt -53.41 -66.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.763 ' HG3' HG23 ' A' ' 61' ' ' ILE . 3.5 ttm180 -41.01 -37.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.9 -62.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ALA . 27.8 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -49.71 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -47.25 -49.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -51.37 -49.95 60.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.78 -41.1 56.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -42.19 70.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.8 tttp -55.12 -46.8 75.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -39.89 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -74.87 -44.07 50.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -55.77 -22.14 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.37 -48.97 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 27' ' ' PHE . 1.2 p -52.54 -59.29 4.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -37.01 135.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER 81.98 155.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.726 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 114.26 -62.37 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.768 HD23 ' CA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -152.58 139.91 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 0.728 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' ASP . 30.9 tp -54.87 -72.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.96 -49.44 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -49.04 -45.7 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 6.3 t0 -55.29 -34.54 64.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.01 -50.66 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 23' ' ' LEU . 6.6 mt -50.06 -57.98 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.6 m-85 -45.55 -45.88 13.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.39 -47.3 5.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -85.21 -57.83 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.824 ' CE1' HG23 ' A' ' 79' ' ' ILE . 6.6 t80 -38.38 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -85.42 -47.05 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.37 -28.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.15 -55.01 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 38' ' ' LEU . 12.3 mm-40 -74.64 -77.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 10.9 t80 -40.41 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 4.3 tm-20 -34.5 -53.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -155.18 53.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.655 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 34' ' ' GLU . 53.9 mt -57.79 129.74 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -75.4 171.83 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HA ' HD12 ' A' ' 43' ' ' LEU . 9.9 t70 -55.72 -51.72 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -64.13 -44.35 92.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 1.2 mm-40 -59.26 -28.32 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 HD21 ' HD2' ' A' ' 9' ' ' LYS . 13.2 mt -75.54 -17.2 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -75.27 -60.51 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 2.6 pm0 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -55.95 -56.86 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -60.55 -19.68 58.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.789 ' HB3' HD21 ' A' ' 72' ' ' LEU . 3.3 mt-10 -85.39 -47.14 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.887 HD13 HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -73.88 -42.43 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 46' ' ' PHE . 87.6 mt -54.22 -27.22 33.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.36 -34.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.2 153.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.07 163.79 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 5.8 m-20 -52.2 -58.67 5.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.768 ' CA ' HD23 ' A' ' 20' ' ' LEU . 1.4 tm0? -42.4 -58.59 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 23' ' ' LEU . 66.3 tp -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -44.83 -59.69 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.67 -47.76 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 2.4 mt -52.32 -44.73 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.32 -55.97 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -58.53 -32.92 69.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.48 3.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.918 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -81.89 -85.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.591 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.18 167.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -123.37 167.92 13.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 t -126.52 121.12 31.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.19 34.21 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 72' ' ' LEU . 62.2 mmtt -142.1 115.98 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.98 60.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 75' ' ' MET . 28.3 m-70 -89.3 -3.37 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD22 HG13 ' A' ' 49' ' ' ILE . 28.7 mt -109.94 -38.3 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -42.85 -49.14 13.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.06 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 30.4 mmt -57.27 -24.21 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.566 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.2 mt -75.91 -29.06 58.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 80' ' ' ARG . 4.1 mm-40 -65.96 -50.17 65.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -62.97 -34.76 78.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.887 HD12 HD13 ' A' ' 49' ' ' ILE . 64.8 mt -70.67 -50.36 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.436 ' CD ' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -56.7 -22.2 33.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -56.08 -66.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.45 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 5' ' ' ASP . 2.7 mp -74.48 -57.15 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -61.1 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -63.82 -47.42 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.4 tttm -43.14 -50.81 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -56.48 -50.1 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -58.62 -54.7 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.96 -41.21 97.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.924 HG22 HD22 ' A' ' 50' ' ' LEU . 71.5 p -55.96 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.4 mmt180 -163.72 144.03 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CB ' ' CG ' ' A' ' 24' ' ' ASP . 43.0 ptt85 -91.06 15.03 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -34.45 -38.86 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.067 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' LEU . 2.1 mm? -125.33 124.33 41.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LEU . 11.6 tp -35.27 -79.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ILE . 2.4 tp10 -37.82 -54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.4 tp -51.91 -49.12 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 55.6 t0 -55.0 -42.36 72.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 4.2 mt -74.07 -43.72 56.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.8 mt -38.24 -64.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CE2' ' HB ' ' A' ' 16' ' ' THR . 49.0 m-85 -45.03 -38.77 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -43.0 -59.86 3.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.0 mtt85 -87.66 -49.08 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -37.55 -68.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.629 ' O ' ' N ' ' A' ' 35' ' ' PHE . 1.1 ttp -49.82 -53.64 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.1 -28.09 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -98.64 5.72 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' HIS . 3.7 mm-40 -135.29 -72.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.651 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.9 -37.52 9.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -64.05 -13.61 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' GLU . 73.6 t60 -120.19 -7.84 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.887 HD11 ' CE1' ' A' ' 46' ' ' PHE . 59.0 mt -66.18 -169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.2 m -163.05 164.07 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' SER . 65.7 t0 -37.81 -37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -62.48 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.724 ' CB ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm-40 -53.27 -38.64 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 39' ' ' SER . 3.9 mt -41.8 -40.74 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -64.12 -52.93 56.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.4 mm-40 -57.73 -57.29 13.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.887 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -43.26 -61.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -55.77 -19.22 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.976 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -85.45 -43.38 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -76.7 -40.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.924 HD22 HG22 ' A' ' 16' ' ' THR . 11.1 mt -60.35 -32.7 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -38.06 -40.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-85 -66.79 154.2 41.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -77.46 174.6 10.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.656 ' CB ' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -66.28 -61.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -42.52 -54.97 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.32 -44.99 93.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -53.97 -55.14 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 23' ' ' LEU . 3.3 tp -52.7 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.991 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -46.46 -44.17 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -49.07 -63.18 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -50.96 -42.19 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -64.53 -31.29 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 111.21 17.9 8.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.991 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.26 -83.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.593 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 174.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.51 165.17 17.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.0 t -122.44 123.07 40.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.8 t0 -89.06 36.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 24.2 mttt -157.07 122.44 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.23 -11.28 81.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.64 -5.47 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 HG13 ' A' ' 49' ' ' ILE . 2.5 mt -103.23 -26.08 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -40.99 -49.93 7.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -74.99 -35.43 3.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.681 ' O ' HD12 ' A' ' 79' ' ' ILE . 18.6 mmt -69.86 -24.33 63.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.9 mt -74.97 -27.3 60.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.0 -55.81 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 1.1 ptmt -58.01 -41.17 82.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 75' ' ' MET . 46.7 mt -71.83 -41.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 44.2 ttt-85 -64.03 -22.17 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' ALA . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -33.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 9' ' ' LYS . 2.6 mp -60.57 -49.2 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -42.3 -28.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -66.35 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -61.6 -21.37 64.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 14.1 tttt -70.1 -44.53 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -46.1 -49.87 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -75.3 -54.26 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -45.84 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -83.6 -52.78 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.607 HG22 ' CE1' ' A' ' 27' ' ' PHE . 6.7 p -52.57 133.62 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 18.0 ttt180 -135.35 156.02 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -88.5 19.04 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.589 ' C ' HD22 ' A' ' 20' ' ' LEU . . . -37.16 -31.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.589 HD22 ' C ' ' A' ' 19' ' ' GLY . 3.6 mm? -131.39 137.56 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -42.86 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -56.0 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -45.14 -52.11 9.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 65.5 t0 -52.22 -45.88 65.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.9 mt -67.01 -46.86 73.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' A' ' 23' ' ' LEU . 58.3 mt -45.06 -61.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 16' ' ' THR . 16.3 m-85 -53.32 -16.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -62.4 -61.45 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -86.09 -46.67 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.988 ' CE1' HG23 ' A' ' 79' ' ' ILE . 33.7 t80 -38.07 -34.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -78.39 -45.57 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.93 -23.54 66.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -14.76 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD21 ' A' ' 38' ' ' LEU . 3.0 mm-40 -122.31 -76.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' MET . 4.0 t80 -43.25 -25.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -44.64 -50.65 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . 2.7 t-80 -155.32 58.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.889 HD21 ' HB3' ' A' ' 34' ' ' GLU . 51.6 mt -59.09 141.48 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.85 171.83 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -57.38 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -60.45 -45.03 95.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -43.0 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.84 -28.43 49.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -59.37 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 1.2 mp0 -57.78 -51.32 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -46.86 -50.77 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -62.83 -19.75 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.939 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.35 -46.85 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.887 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -69.19 -44.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 12' ' ' ILE . 68.3 mt -50.4 -33.14 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -38.62 -34.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -80.83 151.28 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.2 174.97 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.494 ' CB ' HD23 ' A' ' 20' ' ' LEU . 4.4 m-20 -50.64 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -46.44 -60.58 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 3.5 mt-10 -51.55 -48.06 63.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.942 HD23 HD11 ' A' ' 23' ' ' LEU . 54.9 tp -57.72 -58.79 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 23' ' ' LEU . 5.0 tp -52.87 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.08 -43.45 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.6 mt -50.62 -63.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -50.48 -47.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -56.5 -34.68 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.81 19.58 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.866 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -79.24 -84.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.609 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.6 m -64.54 164.37 11.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -117.43 166.8 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' THR . 0.8 OUTLIER -128.91 120.26 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.91 35.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.1 mmpt? -136.13 117.49 14.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.01 -14.58 70.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -83.3 3.17 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 48' ' ' GLU . 45.8 mt -114.85 -39.09 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.534 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.27 -50.22 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.709 ' HG3' HD11 ' A' ' 79' ' ' ILE . 2.0 tpp -53.87 -31.7 50.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.786 ' HG ' HD11 ' A' ' 49' ' ' ILE . 4.9 mt -65.97 -45.67 80.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.087 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -56.33 -58.35 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.477 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.6 -62.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.988 HG23 ' CE1' ' A' ' 30' ' ' PHE . 63.0 mt -46.63 -45.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.95 -34.33 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -58.42 -69.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.8 -32.59 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.41 -43.04 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -57.47 12.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -60.5 -35.03 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.59 -27.06 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -75.3 -35.58 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -42.5 -52.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' HE2' ' A' ' 31' ' ' MET . 0.0 OUTLIER -75.62 -38.09 59.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -20.7 66.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.39 -37.71 19.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.516 HG21 ' HE3' ' A' ' 31' ' ' MET . 1.3 p -65.11 -168.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 64.18 122.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.18 -153.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.92 52.04 2.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.662 HD13 HD22 ' A' ' 58' ' ' LEU . 3.3 mt -146.7 112.34 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLU . 60.7 tp -65.3 -73.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -38.54 -49.76 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.981 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.4 tp -57.34 -51.75 68.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.13 -36.35 40.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.692 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -70.22 -49.15 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.981 HD12 ' HA ' ' A' ' 23' ' ' LEU . 25.9 mt -47.02 -61.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 31' ' ' MET . 19.4 m-85 -44.19 -40.63 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.88 -59.43 3.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.7 mmt180 -84.41 -48.12 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CE2' HG23 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -42.73 -27.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.583 ' HE2' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.64 -40.22 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tt0 -63.78 -21.47 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -25.59 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.774 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.4 mp0 -117.46 -77.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 12' ' ' ILE . 13.4 t80 -41.74 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' MET . 6.4 tt0 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.4 t-160 -155.01 55.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 34' ' ' GLU . 29.4 mt -57.15 -162.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -160.37 150.74 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.9 -63.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -57.76 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' SER . 13.6 mt-10 -81.88 -14.95 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.8 mt -75.97 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 32.8 t -41.42 -60.26 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -50.05 -48.43 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -62.72 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 33.0 t -66.96 -22.83 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB3' HD21 ' A' ' 72' ' ' LEU . 1.4 tp10 -83.14 -43.91 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.738 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.17 -38.54 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.8 mt -64.03 -37.25 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -39.78 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -71.81 156.72 39.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 160.02 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.941 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -53.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.87 -57.04 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.01 -49.09 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 23' ' ' LEU . 8.5 tp -54.6 -55.98 23.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.842 ' CD1' HD13 ' A' ' 23' ' ' LEU . 3.3 tp -52.37 -63.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.809 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.7 -43.46 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.1 mt -50.68 -60.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.56 -47.64 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.54 -26.73 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 106.25 19.24 10.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.809 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.19 -85.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.608 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.28 166.65 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.25 171.37 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 t -132.93 122.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.11 34.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 19.8 mttm -147.52 116.91 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.52 89.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -10.88 59.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.738 HD22 HG13 ' A' ' 49' ' ' ILE . 2.2 mt -97.09 -24.09 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.21 -49.71 8.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -36.39 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 79' ' ' ILE . 27.9 mmt -69.54 -22.35 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -74.93 -35.94 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -57.98 6.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -53.57 -56.85 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.745 HG23 ' CE2' ' A' ' 30' ' ' PHE . 52.8 mt -55.55 -45.54 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -52.61 -44.3 65.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -59.55 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' ASP . 24.3 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' ASP . 46.3 m-20 -39.74 -47.77 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -55.27 -57.79 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.54 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -61.17 -61.19 2.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -29.37 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -59.22 -52.72 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.736 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -44.33 -52.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 ttm180 -70.56 -55.75 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -47.3 -39.79 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -58.74 -49.49 77.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' ILE . 31.2 p -65.99 168.97 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -163.5 25.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.3 ptm180 37.79 30.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . -37.3 -42.01 0.81 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.79 150.72 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.24 -66.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.77 -40.02 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.904 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -58.82 -53.23 60.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -36.78 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.74 -53.5 50.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 23' ' ' LEU . 5.1 mt -50.33 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' A' ' 23' ' ' LEU . 14.5 m-85 -48.29 -21.47 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.93 -52.46 3.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -86.21 -70.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -36.42 -45.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.618 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -64.52 -50.9 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.84 -29.05 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.28 -27.66 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -86.7 -70.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.672 ' HA ' HD12 ' A' ' 38' ' ' LEU . 34.6 t80 -46.79 -41.98 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -10.3 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -122.55 -8.84 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 35' ' ' PHE . 38.1 mt -60.27 -171.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.2 m -164.2 169.07 18.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -48.32 -57.82 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -64.9 -34.97 79.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HB2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -65.09 -46.6 80.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.8 mt -40.22 -38.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -59.17 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' GLU . 21.6 mt-10 -49.71 -61.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -44.42 -43.9 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -29.56 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -79.8 -37.37 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -75.26 -49.0 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 49' ' ' ILE . 48.1 mt -49.96 -26.36 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.8 mm-40 -36.97 -34.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.7 m-85 -83.35 149.92 26.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.6 173.74 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -59.79 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.05 -44.52 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 23' ' ' LEU . 22.1 tp -51.5 -61.13 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 23' ' ' LEU . 4.5 tp -46.27 -61.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.31 -45.43 34.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.859 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mt -53.54 -44.13 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.53 -56.42 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.41 -25.59 50.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.32 30.46 5.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.771 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -81.47 -86.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 0.0 109.623 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -62.44 174.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -119.1 168.42 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.9 t -126.77 120.88 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.06 29.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.99 120.68 17.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -72.96 -1.31 55.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.433 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.5 m80 -88.48 -11.12 46.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.574 HD12 ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -109.28 -38.1 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.85 -49.53 10.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -64.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.864 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.09 -23.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 20.5 mt -71.35 -42.76 68.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -59.68 -58.77 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -53.46 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 75' ' ' MET . 20.7 mt -49.9 -50.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 61.5 ttt180 -54.26 -35.68 62.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -61.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -43.25 -48.11 6.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -50.45 -50.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.22 -49.67 68.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.81 -58.95 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -47.72 -39.48 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' GLN . 8.3 tttt -52.6 -53.48 46.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -40.43 -50.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.4 ttt180 -74.92 -55.31 5.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -48.73 -22.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 6.7 mm-40 -80.68 -56.51 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 12' ' ' ILE . 69.8 p -44.87 -67.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.414 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 2.3 mtp180 61.57 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -74.27 56.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -68.09 -26.3 74.11 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 19' ' ' GLY . 1.5 mp -136.02 131.68 35.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . 56.7 tp -37.86 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -37.61 -52.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.06 -57.07 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 16.2 t0 -46.73 -42.54 16.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.1 mt -70.08 -53.72 16.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 23' ' ' LEU . 19.6 mt -43.48 -62.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.913 ' CE2' HD12 ' A' ' 23' ' ' LEU . 36.5 m-85 -46.41 -24.15 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.62 -56.57 22.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -83.99 -29.67 26.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.9 -41.45 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.506 ' CA ' ' HB3' ' A' ' 35' ' ' PHE . 25.9 mtm -68.51 -56.0 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 36' ' ' GLU . 3.7 tt0 -46.36 -24.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -58.78 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -75.21 -75.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -41.8 -23.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.2 tp10 -33.32 -71.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.99 57.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 46' ' ' PHE . 97.3 mt -56.42 134.94 54.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 169.53 15.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.83 -53.08 36.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -64.62 -39.51 93.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.93 -45.58 78.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 t -49.98 -45.44 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 23.2 mm-40 -58.31 -60.88 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CD2' HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -45.21 -44.59 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -32.03 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.783 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.8 mm-40 -77.43 -39.26 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.21 -51.53 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' N ' HG22 ' A' ' 49' ' ' ILE . 7.1 mt -46.89 -25.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.9 mm-40 -37.25 -38.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.706 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -84.33 150.94 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.76 177.07 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -50.38 -55.98 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -46.08 -60.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.3 mm-40 -59.02 -51.13 71.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -48.76 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 23' ' ' LEU . 5.7 tp -47.65 -60.18 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.65 -48.4 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 65' ' ' SER . 4.0 mt -50.2 -63.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.6 mt -50.12 -48.02 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.4 -36.17 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.65 25.16 3.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.859 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -85.8 -77.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.707 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.16 160.52 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.58 169.93 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.735 ' OG1' HD12 ' A' ' 72' ' ' LEU . 12.0 t -115.13 123.56 49.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.6 36.44 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.77 126.6 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.72 -6.96 87.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 75' ' ' MET . 39.0 m-70 -82.62 -2.92 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 49' ' ' ILE . 13.1 mt -104.45 -33.52 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.1 mt -41.65 -49.04 10.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -38.35 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.82 ' O ' HD12 ' A' ' 79' ' ' ILE . 15.4 mmt -68.21 -20.78 64.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 80' ' ' ARG . 7.7 mt -76.51 -47.3 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -52.68 -49.06 66.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -66.25 -58.83 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 75' ' ' MET . 25.5 mt -56.62 -68.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -38.04 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.02 -60.57 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -43.34 -39.92 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.06 -46.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -60.17 -36.7 78.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -57.53 -59.77 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -44.59 -40.31 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.5 -48.82 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -41.37 -52.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.3 mtt180 -76.01 -51.58 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -46.18 -25.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.46 -45.04 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 12' ' ' ILE . 76.8 p -70.08 -174.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 2.3 mtt-85 58.54 154.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 2.9 ttt-85 79.94 82.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 165.1 -51.3 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.1 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -144.31 146.94 32.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.28 -71.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -39.79 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.47 -55.91 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -46.4 -36.8 6.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.69 -55.26 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.6 mt -40.5 -61.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD12 ' A' ' 23' ' ' LEU . 43.9 m-85 -43.16 -43.4 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' GLU . . . -42.25 -58.04 3.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.4 mtm180 -86.92 -49.52 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.849 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -36.98 -46.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -77.4 -58.48 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -44.58 -25.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' MET . 1.4 mttm -96.94 -32.82 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' HIS . 63.6 mm-40 -97.59 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -38.25 -31.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.3 tm-20 -66.48 -44.6 82.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' GLU . 39.9 m170 -87.64 -22.7 24.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.849 HD11 ' CE1' ' A' ' 46' ' ' PHE . 19.5 mt -46.48 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -163.78 160.28 22.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' SER . 1.9 t70 -36.9 -60.05 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.1 -53.54 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -56.65 -49.51 74.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 43' ' ' LEU . 4.0 mt -42.84 -46.69 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -37.2 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.7 OUTLIER -74.9 -54.6 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.849 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -48.1 -41.46 26.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 t -60.93 -23.44 65.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.56 -46.15 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.836 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -71.06 -46.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 46' ' ' PHE . 77.2 mt -49.76 -31.81 12.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -37.49 -34.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.803 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -82.59 149.31 27.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.69 170.23 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.65 -58.78 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.27 -61.21 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.5 mm-40 -53.44 -50.82 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 23' ' ' LEU . 45.7 tp -51.29 -60.43 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.1 HD22 HD23 ' A' ' 20' ' ' LEU . 3.8 tp -52.54 -60.58 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.995 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.06 -44.39 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 52' ' ' PHE . 1.8 mt -49.79 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG23 ' HG3' ' A' ' 80' ' ' ARG . 66.9 mt -48.91 -45.7 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.81 -34.6 77.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 112.49 23.97 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.995 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -81.57 -83.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.3 t -59.7 175.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -121.01 161.36 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 67' ' ' THR . 4.8 t -137.53 98.03 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.94 39.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' HD12 ' A' ' 72' ' ' LEU . 9.2 mttt -131.69 109.49 10.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.79 -13.95 53.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -87.5 1.25 54.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 48' ' ' GLU . 50.0 mt -115.81 -41.17 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -38.34 -50.24 3.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mmt -48.43 -24.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.8 mt -74.0 -35.68 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -62.43 -54.8 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.97 -54.48 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 30' ' ' PHE . 40.9 mt -56.21 -43.07 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.57 ' HG3' HG23 ' A' ' 61' ' ' ILE . 1.4 tmm_? -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -52.04 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' ALA . 13.2 m-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -32.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -62.03 -52.46 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -43.93 -35.14 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -54.98 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 HH21 HG13 ' A' ' 7' ' ' ILE . 54.4 mtm180 -54.4 -46.83 73.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -48.63 -49.3 37.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -39.6 -55.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' N ' HG22 ' A' ' 12' ' ' ILE . 9.5 mtp180 -75.94 -51.64 11.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -41.87 -28.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -66.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 74.4 p -43.63 -60.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -34.14 126.86 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -159.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.03 20.87 26.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 23.1 tp -65.43 -76.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -35.27 -54.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -50.94 -55.84 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -36.3 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLY . 7.5 mt -75.93 -51.43 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 23' ' ' LEU . 22.1 mt -44.25 -54.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.993 ' CE2' HD12 ' A' ' 23' ' ' LEU . 62.2 m-85 -50.78 -28.65 9.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -56.94 -74.08 0.37 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 2.9 ptm180 -57.2 -23.0 44.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CE1' HG23 ' A' ' 79' ' ' ILE . 1.3 t80 -75.95 -46.37 30.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.511 ' CB ' ' HB3' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -71.67 -41.61 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.43 -27.17 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.76 -49.32 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.59 ' HB3' HD21 ' A' ' 38' ' ' LEU . 63.9 mm-40 -79.8 -77.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -39.88 -27.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -36.32 -65.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -141.35 56.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 34' ' ' GLU . 38.5 mt -55.73 -165.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -162.38 154.25 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.43 -56.3 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.06 68.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.4 mm-40 -85.18 -13.23 50.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' SER . 12.7 mt -76.14 -51.0 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.2 -61.39 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -49.46 -52.74 27.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -54.2 -48.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.37 -40.78 93.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -66.53 -41.14 89.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.757 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -75.13 -52.25 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.9 mt -45.98 -27.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.3 mm-40 -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -82.8 152.36 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 176.07 8.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 m-20 -62.42 -60.75 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -42.08 -51.94 4.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 11.2 mm-40 -67.85 -41.06 83.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.871 HD23 HD11 ' A' ' 23' ' ' LEU . 40.6 tp -57.61 -61.84 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.814 HD13 HD22 ' A' ' 23' ' ' LEU . 6.9 tp -43.13 -58.72 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -52.53 -49.82 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' GLY . 3.1 mt -51.55 -63.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.92 -43.6 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -66.96 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.83 25.95 4.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.549 1.156 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.794 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -84.58 -82.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.547 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 174.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.35 171.88 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.474 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.35 120.31 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.25 0.89 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 22.9 mttp -120.26 103.7 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.3 -8.03 48.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' MET . 3.6 m80 -73.76 -5.01 38.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.578 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 49' ' ' ILE . 2.9 mt -104.84 -20.78 13.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -44.51 -47.4 26.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.05 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.551 ' HE3' ' CE ' ' A' ' 78' ' ' LYS . 33.8 mmm -55.7 -22.5 23.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.9 mt -75.88 -31.74 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.45 -56.79 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.551 ' CE ' ' HE3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -55.41 -49.52 72.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.74 HG23 ' CE1' ' A' ' 30' ' ' PHE . 79.2 mt -63.47 -67.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 24.6 ttp180 -37.71 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.38 -65.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.13 -44.43 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.9 mp -55.22 -52.16 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.02 2.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -60.7 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -44.52 -44.98 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -49.46 -41.39 40.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -49.68 -52.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.516 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.58 -50.86 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.24 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.61 -25.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -84.65 -53.6 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 33.3 p -57.2 -163.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.0 150.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 71.94 -179.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 48.86 97.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER 66.01 110.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -57.85 -44.95 86.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.64 -43.48 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.978 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -58.71 -33.71 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -68.45 -39.82 81.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.2 mt -68.8 -49.52 57.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.978 HD12 ' HA ' ' A' ' 23' ' ' LEU . 39.8 mt -40.58 -52.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 18.1 m-85 -53.28 -40.9 65.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -41.96 -50.77 5.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.49 -51.66 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -42.82 -33.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.416 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 mtt -83.97 -53.8 5.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.93 -27.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HD2' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.92 -54.23 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HB3' HD21 ' A' ' 38' ' ' LEU . 23.9 mt-10 -75.76 -75.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' GLU . 1.2 t80 -40.95 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLU . 12.3 tt0 -34.22 -55.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -153.53 53.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 53.8 mt -58.61 142.68 48.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.65 167.05 22.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.7 t0 -64.29 -58.03 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -59.04 -38.71 79.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' A' ' 78' ' ' LYS . 1.1 tp10 -61.93 -44.9 95.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 40' ' ' ASP . 9.1 mt -45.88 -46.73 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -58.26 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -48.93 -57.79 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.46 -56.46 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 t -61.43 -24.96 66.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 2.1 tp10 -78.84 -43.34 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.785 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.86 -46.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 12' ' ' ILE . 76.9 mt -52.19 -31.38 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.6 mt-10 -35.21 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LEU . 10.1 m-85 -85.87 147.88 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.45 160.79 30.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.802 ' HB3' HD23 ' A' ' 23' ' ' LEU . 5.0 m-20 -51.52 -46.33 63.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.819 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.8 tm0? -45.26 -59.97 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 mm-40 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.77 -61.29 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -50.55 -60.3 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -50.28 -45.4 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -49.89 -60.59 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -53.2 -43.23 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.99 -22.04 66.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.14 31.25 6.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.816 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.95 -89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.59 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.2 m -60.58 171.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -117.85 172.38 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.759 ' OG1' HD12 ' A' ' 72' ' ' LEU . 13.6 t -120.4 120.56 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.05 -0.88 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.5 mptt -128.89 114.68 16.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 -5.06 45.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -83.19 3.75 29.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 49' ' ' ILE . 10.7 mt -108.54 -39.12 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.13 -50.46 8.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.6 -22.64 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.594 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.5 mt -75.27 -35.12 61.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -62.55 -55.59 25.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -58.17 -36.6 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 75' ' ' MET . 63.1 mt -71.32 -56.02 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -39.16 -50.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -51.52 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 8' ' ' ALA . 69.1 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -47.55 -34.65 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -74.95 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HB3' ' N ' ' A' ' 5' ' ' ASP . . . -48.5 -34.24 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.23 -26.19 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 15' ' ' GLN . 2.4 mmtp -74.91 -40.5 60.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -42.67 -50.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.8 mtt180 -75.58 -45.45 37.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.53 -16.87 27.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.53 -58.88 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.588 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 65.4 p -44.44 -56.5 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 132.67 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.3 -152.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.06 44.32 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 54' ' ' ASP . 5.7 mp -140.66 107.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.54 -69.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -56.22 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tp -50.04 -40.61 45.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -36.32 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -75.41 -50.46 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 34.5 mt -40.36 -61.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 46.5 m-85 -43.66 -45.05 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.3 -51.35 5.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.5 mmt180 -85.59 -52.98 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -46.29 -49.4 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' PHE . 95.7 mtp -60.69 -50.91 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.22 -23.28 67.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.46 -12.21 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' HIS . 18.7 mm-40 -128.59 -75.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 38' ' ' LEU . 38.7 t80 -40.67 -34.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -38.91 90.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -92.12 -15.35 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 35' ' ' PHE . 17.4 mt -54.43 -169.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 43' ' ' LEU . 15.2 m -164.25 177.28 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -65.39 -20.75 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 3.9 mt-10 -85.07 -12.51 52.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 39' ' ' SER . 2.3 mt -71.99 -38.24 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 m -53.43 -59.31 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 7.4 pt-20 -47.7 -43.72 26.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.997 ' CE1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -60.96 -57.87 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -26.14 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -74.38 -41.12 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.633 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.63 -41.16 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.997 HD11 ' CE1' ' A' ' 46' ' ' PHE . 69.2 mt -64.37 -14.83 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . 3.4 mm-40 -36.39 -35.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.627 ' CD2' HD12 ' A' ' 60' ' ' LEU . 10.8 m-85 -78.81 145.81 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 1.6 mp0 -65.99 175.19 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.813 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.1 m-20 -64.25 -48.66 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.91 67.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.69 -52.2 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD23 HD21 ' A' ' 23' ' ' LEU . 14.9 tp -45.19 -61.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.646 ' CD1' HD13 ' A' ' 23' ' ' LEU . 5.8 tp -42.78 -57.21 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.937 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.6 -49.47 46.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -49.32 -63.65 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -47.71 -44.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.92 -29.89 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 109.66 29.06 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.937 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -90.85 -85.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.621 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -54.89 165.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 162.82 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 67' ' ' THR . 3.6 t -137.8 98.31 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.59 36.71 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.504 ' HB2' HD12 ' A' ' 72' ' ' LEU . 33.3 mmtt -128.18 105.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -60.89 -13.11 31.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.427 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.57 1.81 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.566 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 HG13 ' A' ' 49' ' ' ILE . 10.8 mt -123.6 -40.47 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -39.88 -50.18 5.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.63 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.37 -22.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 49' ' ' ILE . 12.0 mt -71.56 -47.72 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.458 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 2.3 mm-40 -55.35 -56.7 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -56.15 -64.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.68 HG23 ' CE1' ' A' ' 30' ' ' PHE . 62.5 mt -48.15 -51.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 2.0 ttt-85 -47.89 -48.05 31.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -57.58 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.21 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 5' ' ' ASP . 42.5 mm -72.76 -49.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.5 -34.84 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -66.31 -61.22 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -61.55 -23.56 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' GLN . 9.8 tptt -75.15 -57.27 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CD1' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -44.89 -48.06 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 ttp180 -61.58 -57.13 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -65.37 -9.5 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.35 -18.28 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.732 HG22 HD22 ' A' ' 50' ' ' LEU . 82.4 p -85.33 -44.5 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -37.92 141.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.24 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 8.1 ttt180 83.98 140.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 -63.51 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 20' ' ' LEU . 3.0 mt -151.57 137.94 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.37 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.57 -44.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.972 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.36 -54.93 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.85 -37.33 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 25' ' ' LEU . 2.8 mt -74.54 -50.78 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 23' ' ' LEU . 18.7 mt -45.0 -49.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.952 ' CE2' HD12 ' A' ' 23' ' ' LEU . 57.5 m-85 -56.92 -41.4 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -41.69 -42.84 3.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -51.43 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -47.79 -40.42 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.615 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -66.22 -40.98 90.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.2 tt0 -59.85 -24.8 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -96.55 -54.0 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 72.6 mm-40 -75.43 -77.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.31 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.1 tt0 -34.68 -67.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -142.4 56.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 42.8 mt -55.03 -167.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -161.76 157.53 24.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' SER . 6.4 t0 -39.42 -63.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.32 -48.08 9.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -55.72 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.507 HD22 ' CD1' ' A' ' 12' ' ' ILE . 6.9 mt -41.81 -51.18 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -59.7 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mp0 -68.12 -57.21 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -41.84 -47.65 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -63.37 -36.5 83.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' CB ' HD21 ' A' ' 72' ' ' LEU . 34.4 mm-40 -64.49 -43.61 93.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.8 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.57 -43.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.732 HD22 HG22 ' A' ' 16' ' ' THR . 70.6 mt -60.89 -35.59 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -38.63 -33.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.4 m-85 -78.28 152.57 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -78.81 164.96 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.537 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.9 m-20 -54.51 -57.57 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -43.27 -55.06 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.12 -40.54 94.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.777 HD23 HD11 ' A' ' 23' ' ' LEU . 47.4 tp -56.7 -61.7 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.632 HD13 HD22 ' A' ' 23' ' ' LEU . 8.1 tp -47.83 -57.04 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.877 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -51.14 -46.87 62.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.49 -60.05 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.04 -45.89 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.93 -29.95 68.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 107.57 27.86 5.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.877 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -88.42 -87.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 0.0 109.595 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.7 t -59.12 174.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.8 mp0 -121.78 171.19 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.637 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.5 t -119.86 120.73 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -90.86 20.71 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 68' ' ' ASP . 23.7 mmtt -140.15 118.18 11.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.99 -9.3 66.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -79.09 -3.22 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 49' ' ' ILE . 19.1 mt -105.17 -37.88 6.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -35.68 -51.48 1.47 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -58.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.5 -28.46 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.0 mt -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 mm-40 -58.63 -54.41 47.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.47 -50.59 64.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 75' ' ' MET . 60.5 mt -58.71 -68.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.83 -29.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -46.99 -57.0 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.522 0.201 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.8 ttm 55.48 84.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 4' ' ' PHE . 39.1 t -125.73 161.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.713 ' CE1' HD13 ' A' ' 43' ' ' LEU . 2.3 t80 173.87 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -144.89 -176.51 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.23 -25.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -69.6 -54.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.94 -32.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -61.63 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -29.0 69.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ILE . 4.1 tttm -61.18 -55.5 31.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.69 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.08 -49.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 mtt180 -75.06 -57.44 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.91 -27.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.52 -47.14 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.703 HG22 HD22 ' A' ' 50' ' ' LEU . 23.6 p -62.57 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 63.87 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -166.49 -149.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.37 37.76 3.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 58' ' ' LEU . 7.6 mp -137.79 107.33 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' ASP . 36.3 tp -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' CD ' HD11 ' A' ' 26' ' ' ILE . 1.8 tm-20 -46.24 -48.74 17.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.955 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.1 tp -61.46 -29.49 70.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.0 t70 -73.01 -32.39 65.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.0 mt -74.93 -48.39 24.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 23' ' ' LEU . 14.7 mt -44.86 -62.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 26.7 m-85 -42.13 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.94 -61.51 2.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -48.13 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 1.004 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.51 -59.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.66 -58.31 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -47.26 -24.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -46.3 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -85.22 -69.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' MET . 83.0 t80 -39.61 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.62 82.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' GLU . 23.8 m80 -86.01 -40.88 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD11 ' HB3' ' A' ' 34' ' ' GLU . 79.9 mt -44.65 111.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -76.03 169.35 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.979 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.1 m-20 -42.9 -54.45 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -54.83 -55.88 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.21 -43.63 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 40' ' ' ASP . 12.5 mt -52.42 -28.25 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.4 mm-40 -67.69 -45.82 74.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.69 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -45.7 -41.23 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.514 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 44.5 t -63.38 -32.0 73.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.873 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.3 mt-10 -67.13 -44.1 80.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.19 -44.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 16' ' ' THR . 81.0 mt -59.22 -37.69 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.8 mm-40 -39.1 -38.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.29 156.18 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.35 174.86 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.61 ' CB ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -68.37 -53.37 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.05 -58.9 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.31 -48.25 62.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB3' HD21 ' A' ' 23' ' ' LEU . 37.6 tp -52.47 -60.58 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 20' ' ' LEU . 4.9 tp -50.63 -62.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.928 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.02 -46.37 33.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.9 mt -47.36 -63.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 mt -49.6 -47.98 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -59.38 -28.13 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.98 25.22 6.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.928 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -84.79 -81.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.602 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -66.01 175.19 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.51 172.34 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.1 t -124.48 120.83 33.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -92.63 36.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 tptt -152.38 126.11 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.07 -6.51 88.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -14.54 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.873 HD21 ' HB3' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -98.3 -21.99 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -44.87 -48.5 29.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.97 -46.11 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 49' ' ' ILE . 1.9 tpp -57.07 -34.58 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.0 mt -64.9 -46.27 82.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.69 -54.9 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' MET . 14.5 ptpt -65.15 -58.53 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 1.004 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 50.9 mt -52.13 -67.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.8 tmm_? -40.0 -34.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -56.04 -67.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.444 0.164 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 mtt -169.38 146.32 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.04 158.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 40' ' ' ASP . 20.8 p90 -98.42 173.82 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -142.81 170.36 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -40.4 -40.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mt -55.62 -51.27 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -50.22 -42.85 52.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -51.28 -56.86 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -44.1 -43.43 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -53.14 -45.96 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.92 -53.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -76.32 -51.67 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.27 -23.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.19 -46.61 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 12' ' ' ILE . 22.0 p -60.89 -166.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 46.57 -175.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 2.3 ttt180 53.58 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.911 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 142.58 -55.22 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.911 HD22 ' O ' ' A' ' 19' ' ' GLY . 1.6 mm? -143.24 142.43 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.43 -70.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -39.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -55.06 -56.46 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -45.84 -35.47 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.5 mt -75.45 -55.73 5.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 16.0 mt -38.94 -58.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 23' ' ' LEU . 45.9 m-85 -47.47 -42.95 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -42.22 -50.41 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -85.38 -58.08 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -38.23 -33.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' PHE . 29.4 mtp -80.64 -56.44 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -46.71 -24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -91.82 -49.57 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 2.7 mp0 -88.52 -71.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' A' ' 38' ' ' LEU . 11.4 t80 -42.33 -22.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 14.0 pt-20 -34.19 -49.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.53 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -158.4 49.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.641 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -57.1 130.17 44.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.484 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.9 m -75.35 -175.16 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -72.23 -58.44 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -57.12 -32.86 66.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -50.65 60.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 40' ' ' ASP . 5.5 mt -48.99 -49.47 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.35 -58.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -53.75 -52.27 60.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -48.66 -53.0 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -61.78 -28.81 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.051 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -77.07 -40.53 45.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -76.62 -46.94 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 46' ' ' PHE . 72.8 mt -55.27 -19.12 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.6 mm-40 -37.0 -35.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -85.6 153.02 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.54 174.22 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -51.92 -63.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.66 ' CA ' HD23 ' A' ' 20' ' ' LEU . 4.0 tm0? -42.81 -61.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -54.68 -45.37 73.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -55.14 -60.63 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.833 HD13 HD22 ' A' ' 23' ' ' LEU . 4.0 tp -47.02 -61.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.7 -46.01 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.6 mt -53.28 -60.93 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.3 mt -47.98 -48.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -59.87 -29.98 68.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.04 12.55 17.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.591 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.33 -80.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.605 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.538 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -63.21 164.13 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -117.0 167.9 10.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.899 ' OG1' HD12 ' A' ' 72' ' ' LEU . 5.5 t -116.43 122.41 44.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -80.97 7.67 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 117.68 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.48 -2.44 42.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -80.92 -2.13 46.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.564 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.899 HD12 ' OG1' ' A' ' 67' ' ' THR . 4.7 mt -108.84 -31.59 7.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.39 -49.96 9.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -75.07 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.881 ' O ' HD12 ' A' ' 79' ' ' ILE . 38.2 mmt -54.95 -26.15 34.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.1 mt -72.39 -35.5 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.05 -55.97 20.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -57.12 -60.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.881 HD12 ' O ' ' A' ' 75' ' ' MET . 13.7 mt -50.41 -52.59 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ttt85 -46.81 -44.61 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -62.66 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.524 0.202 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.89 63.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.67 160.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.18 ' CE1' HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -172.55 121.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.3 m-20 -167.41 173.52 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ASP . 5.6 m-20 -40.64 -38.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.2 -52.73 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.75 -49.31 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -51.23 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -42.32 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLN . 5.0 ttpt -55.95 -42.08 75.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -47.95 -52.51 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -73.53 -40.52 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.65 -16.64 63.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -85.44 -44.53 12.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.875 HG22 HD22 ' A' ' 50' ' ' LEU . 7.6 p -57.53 -167.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -179.85 145.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 ptm180 -85.16 42.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -50.79 -30.28 21.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 20' ' ' LEU . 1.6 mm? -130.55 164.85 23.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.96 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -43.48 -45.21 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.946 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -52.06 -57.75 8.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 15.9 t0 -46.03 -39.39 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.0 mt -74.95 -44.43 48.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.6 mt -44.87 -61.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.517 ' CE2' HD12 ' A' ' 23' ' ' LEU . 21.4 m-85 -53.56 -18.67 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -69.38 -54.24 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.34 -48.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 7.7 t80 -38.8 -66.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG2' ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -48.5 -53.35 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -44.85 -27.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -50.62 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 1.1 mp0 -76.25 -73.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -41.25 -25.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.5 tp10 -34.58 -61.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.86 54.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.599 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 46' ' ' PHE . 41.4 mt -55.68 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -162.48 156.1 20.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -39.05 -50.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -50.16 -56.2 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.19 -41.18 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.18 HD11 ' CE1' ' A' ' 4' ' ' PHE . 8.9 mt -46.53 -43.64 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -59.59 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 75' ' ' MET . 8.1 mt-10 -57.15 -61.48 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.51 -61.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -46.54 -26.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.63 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.854 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -44.37 -33.0 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 HG22 ' A' ' 16' ' ' THR . 42.4 mt -68.17 -46.35 70.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLU . 3.2 mm-40 -38.45 -34.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -70.96 152.32 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 171.93 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -63.16 -59.95 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.76 -56.65 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.42 -42.4 99.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.946 HD23 HD11 ' A' ' 23' ' ' LEU . 56.4 tp -57.61 -61.17 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.812 HD13 HD22 ' A' ' 23' ' ' LEU . 4.8 tp -48.4 -61.73 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.01 -44.54 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 52' ' ' PHE . 3.3 mt -54.0 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -47.35 -49.42 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.37 -33.71 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.59 27.61 4.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.658 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -88.18 -84.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -53.8 176.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.88 167.87 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -133.07 121.24 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.03 35.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' HD12 ' A' ' 72' ' ' LEU . 71.0 mmtt -145.23 119.05 9.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.49 -4.86 89.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -20.11 53.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.786 . . . . 0.0 109.631 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 48' ' ' GLU . 1.7 mt -93.35 -24.16 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.2 -48.92 8.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.03 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.8 -30.23 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 76' ' ' LEU . 6.4 mt -67.28 -31.86 72.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' PRO . 5.1 mm-40 -71.44 -53.45 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -65.21 -42.91 93.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.754 ' CD1' HD13 ' A' ' 49' ' ' ILE . 66.4 mt -63.58 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.71 -22.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.498 0.189 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -150.43 100.3 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 4' ' ' PHE . 21.8 t -104.65 162.92 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER 176.09 106.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' ALA . 5.3 m-20 -130.99 178.76 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 7' ' ' ILE . 2.8 p30 -43.63 -27.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 70.3 mt -65.79 -49.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.69 -24.76 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -58.53 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -44.94 -38.56 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ILE . 35.5 mmtt -53.84 -53.07 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.667 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -40.26 -50.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.26 -53.75 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -44.56 -25.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -51.45 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.611 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 20.9 p -56.45 -166.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 59.51 165.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.2 mtp180 67.42 176.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.927 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 73.58 -55.01 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.004 HD23 HD22 ' A' ' 58' ' ' LEU . 3.7 mp -143.35 136.86 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.22 -63.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.2 -41.95 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.38 -53.01 50.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -49.02 -37.69 21.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -72.46 -48.99 36.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 23' ' ' LEU . 30.6 mt -46.67 -52.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.4 m-85 -53.95 -40.3 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.56 -49.29 5.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -85.19 -55.59 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.76 -59.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.58 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.1 -25.23 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -92.29 -57.89 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' C ' ' N ' ' A' ' 36' ' ' GLU . 31.9 mm-40 -75.63 -74.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' HA ' HD12 ' A' ' 38' ' ' LEU . 1.3 t80 -44.96 -19.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 7.9 pt-20 -34.2 -48.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -157.94 48.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.831 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -59.49 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.7 t -163.07 -176.23 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' N ' ' OG ' ' A' ' 39' ' ' SER . 15.7 t0 -52.3 -61.23 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -38.91 -56.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.711 ' HB3' HD22 ' A' ' 38' ' ' LEU . 24.1 mm-40 -64.3 -43.76 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -46.76 -45.38 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -59.49 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 46.7 mm-40 -61.18 -58.45 8.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.831 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -45.91 -54.63 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.5 t -62.77 -20.63 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -84.59 -41.57 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.6 -48.58 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 12' ' ' ILE . 56.8 mt -49.76 -24.04 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.1 -34.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -83.52 154.34 23.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 169.35 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.645 ' O ' HD23 ' A' ' 23' ' ' LEU . 5.1 m-20 -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.664 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -54.08 -56.37 18.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 13.5 mm-40 -63.56 -41.08 98.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 23' ' ' LEU . 54.8 tp -52.52 -61.18 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.004 HD22 HD23 ' A' ' 20' ' ' LEU . 3.5 tp -47.37 -62.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.79 -45.75 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -54.99 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.9 mt -48.69 -47.26 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -58.45 -36.08 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.4 21.36 5.53 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.99 -86.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 176.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.64 168.61 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.457 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.2 t -121.76 120.9 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -91.19 33.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 80.8 mttt -151.71 120.39 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.51 -3.65 78.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -86.49 -7.37 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HG13 ' A' ' 49' ' ' ILE . 4.4 mt -105.0 -33.63 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -42.05 -49.92 11.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.575 ' O ' HD12 ' A' ' 79' ' ' ILE . 83.9 mmm -53.55 -21.43 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.3 mt -75.34 -41.08 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.39 -51.48 68.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -63.24 -58.61 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.6 HG23 ' CE1' ' A' ' 30' ' ' PHE . 65.5 mt -52.22 -50.82 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -46.23 -48.01 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -57.78 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.531 0.205 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.49 146.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 4' ' ' PHE . 59.5 t -84.71 161.9 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.64 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -65.74 104.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.928 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.423 ' H ' ' HB3' ' A' ' 8' ' ' ALA . 36.4 m-20 -155.04 -179.65 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -49.86 -47.23 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.9 mp -54.37 -50.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HB3' ' H ' ' A' ' 5' ' ' ASP . . . -46.36 -50.86 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -46.23 79.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -52.68 -43.73 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.5 tptt -55.38 -47.58 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -39.78 -54.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -74.58 -48.02 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -51.12 -22.52 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.4 mm-40 -85.08 -48.93 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p -56.26 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 175.31 161.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CA ' ' HB2' ' A' ' 24' ' ' ASP . 25.5 ptt180 -96.14 20.09 10.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -36.94 -67.5 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 54' ' ' ASP . 4.2 mm? -90.91 130.44 36.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' LEU . 49.7 tp -39.64 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -38.89 -48.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.92 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -52.47 -55.88 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CA ' ' A' ' 18' ' ' ARG . 24.2 t0 -47.51 -39.87 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 6.4 mt -74.29 -46.28 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 23' ' ' LEU . 51.9 mt -44.39 -61.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 23' ' ' LEU . 28.4 m-85 -50.29 -21.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -60.06 -60.25 8.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -85.58 -47.06 10.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 79' ' ' ILE . 12.1 t80 -38.74 -66.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.31 -46.56 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.56 -29.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -94.87 -45.21 7.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.02 -74.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CB ' ' CG ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -42.32 -25.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -34.98 -57.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.88 50.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 34' ' ' GLU . 36.5 mt -48.2 140.24 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -74.2 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -67.62 -51.09 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -65.08 -42.86 93.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 47.9 mt-10 -62.26 -42.7 99.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD12 ' CE2' ' A' ' 4' ' ' PHE . 11.8 mt -48.29 -55.26 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.5 -53.13 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 5.7 mm-40 -53.78 -57.8 9.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.61 -42.78 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -36.87 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.9 mt-10 -72.47 -39.92 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.57 -49.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 49' ' ' ILE . 47.4 mt -50.99 -23.46 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.8 mm-40 -37.72 -34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 60' ' ' LEU . 3.3 m-85 -81.66 149.06 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -85.06 -178.74 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.664 ' HB2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.06 -62.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -44.9 -59.9 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 36.7 mt-10 -56.55 -55.02 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 23' ' ' LEU . 46.6 tp -47.19 -59.43 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.92 HD13 HD22 ' A' ' 23' ' ' LEU . 5.8 tp -46.51 -59.46 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.932 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.66 -48.26 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 52' ' ' PHE . 3.8 mt -50.85 -44.41 59.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.13 -54.9 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.65 -32.4 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.79 27.46 3.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.932 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.31 -85.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.608 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.16 167.78 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -127.67 172.7 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.998 ' OG1' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.39 122.57 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 23.06 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -136.83 117.56 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.02 -6.42 56.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.15 -4.3 46.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.998 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.5 mt -105.56 -33.89 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.525 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -37.1 -50.83 2.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.799 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -48.85 -22.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 8.1 mt -75.46 -40.42 57.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 3.6 mm-40 -60.95 -50.65 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.31 -48.98 68.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.812 HG23 ' CE1' ' A' ' 30' ' ' PHE . 59.7 mt -61.71 -67.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -43.68 -25.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.86 -71.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.45 0.167 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 ptt? 177.31 65.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 4' ' ' PHE . 33.1 t -137.09 162.69 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.671 ' CE1' ' CD1' ' A' ' 43' ' ' LEU . 1.5 t80 -80.16 121.39 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.43 -175.0 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -40.45 -46.36 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.0 -53.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.23 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.65 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.46 -51.3 70.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -50.22 -35.91 28.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -50.84 -49.18 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 8.3 mtp180 -74.92 -40.93 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.14 -18.68 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -85.12 -55.56 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' ILE . 47.4 p -44.48 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER 68.49 113.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.77 68.32 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -65.78 -8.9 43.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.818 ' CD2' HD22 ' A' ' 58' ' ' LEU . 3.9 mp -129.31 162.7 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.56 -66.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -50.04 -38.6 38.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.74 -58.02 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.708 ' OD1' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.17 -35.29 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.708 HD23 ' OD1' ' A' ' 24' ' ' ASP . 6.8 mt -75.34 -43.68 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.4 mt -52.85 -62.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 18.6 m-85 -57.31 -40.65 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.21 -55.23 4.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -85.08 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 3.7 t80 -39.81 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' PHE . 14.1 mtp -85.36 -57.9 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -24.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HE2' ' CB ' ' A' ' 82' ' ' ALA . 1.8 ttpt -93.68 -45.12 7.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.875 ' HB3' HD21 ' A' ' 38' ' ' LEU . 71.1 mm-40 -91.99 -70.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 31' ' ' MET . 38.5 t80 -38.47 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.7 tt0 -35.3 -53.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.68 49.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 34' ' ' GLU . 30.0 mt -46.48 128.62 10.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.73 163.51 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.6 t70 -60.22 -53.74 54.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -64.97 -39.71 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.67 -39.98 95.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 14.3 mt -50.89 -27.01 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -64.03 -51.62 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 78' ' ' LYS . 49.8 mt-10 -54.17 -52.89 59.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -52.35 -61.53 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' LEU . 14.1 t -47.23 -65.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 72' ' ' LEU . 3.4 tp10 -39.32 -50.94 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -67.09 -40.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 HG22 ' A' ' 16' ' ' THR . 25.5 mt -55.14 -28.58 53.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -36.76 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 60' ' ' LEU . 5.0 m-85 -84.32 149.28 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.2 -178.79 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -54.64 -62.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.5 -58.24 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 6.6 mm-40 -52.72 -51.72 59.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -56.61 -59.74 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.818 HD22 ' CD2' ' A' ' 20' ' ' LEU . 3.6 tp -47.49 -63.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' HIS . . . -48.99 -47.83 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -52.52 -62.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -50.2 -47.29 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -59.26 -23.1 62.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 98.99 27.64 8.18 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.57 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -93.81 -82.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.725 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -63.08 158.89 18.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.59 174.58 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -128.23 124.9 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -87.42 35.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -142.66 117.7 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.31 5.36 55.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -82.36 -26.38 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.609 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.705 HD21 ' CG ' ' A' ' 48' ' ' GLU . 5.3 mt -94.3 -27.58 16.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.75 -50.09 3.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.06 -32.35 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.696 ' SD ' HD23 ' A' ' 72' ' ' LEU . 52.6 mtt -69.66 -52.27 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.8 mt -43.71 -31.09 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.81 -42.21 74.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -65.44 -30.65 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.816 HG13 HD13 ' A' ' 49' ' ' ILE . 10.9 mm -60.47 -61.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -40.92 -44.5 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.72 -59.76 2.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.478 0.18 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 56.74 166.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 4' ' ' PHE . 64.7 t -97.93 161.66 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 43' ' ' LEU . 2.7 p90 -123.19 166.68 14.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 17.6 m-20 -141.98 173.78 11.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -40.66 -39.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mt -57.6 -52.96 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -48.09 -41.13 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -54.76 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 -39.58 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -45.42 72.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -45.32 -51.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 mtp180 -75.5 -43.3 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.17 -24.19 39.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -85.11 -46.11 11.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.599 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 17.5 p -60.55 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' THR . 5.4 mtp180 52.08 173.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 61.22 137.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 108.21 -57.45 0.43 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.042 HD23 HD22 ' A' ' 58' ' ' LEU . 2.3 mp -141.86 130.84 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.49 -70.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -42.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.13 -57.04 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -39.0 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.99 -50.75 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 42.1 mt -40.82 -56.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 23.2 m-85 -49.42 -44.13 45.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -42.71 -43.81 5.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -89.13 -46.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -54.11 -30.59 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.5 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -82.49 -38.09 24.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.54 -28.01 29.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -51.41 4.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.648 ' HB3' HD21 ' A' ' 38' ' ' LEU . 14.5 mm-40 -76.13 -78.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 12' ' ' ILE . 16.0 t80 -40.36 -26.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLU . 11.4 tt0 -36.2 -63.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -144.81 57.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.544 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 68.2 mt -59.52 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -161.79 160.18 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.1 t70 -37.37 -59.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.43 75.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.3 tt0 -60.65 -30.43 69.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 4' ' ' PHE . 15.7 mt -69.4 -45.89 68.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 p -49.74 -59.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' A' ' 75' ' ' MET . 10.7 pt-20 -54.5 -48.33 72.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -59.53 -59.02 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 t -59.92 -19.37 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.1 mt-10 -85.7 -44.64 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.771 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.16 -44.64 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 46' ' ' PHE . 6.9 mt -55.84 -19.05 10.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -37.76 -38.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -84.64 155.59 21.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.23 173.63 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 23' ' ' LEU . 30.0 m-20 -60.42 -56.71 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.681 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.31 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.32 -39.31 93.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 23' ' ' LEU . 45.5 tp -54.04 -61.53 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.042 HD22 HD23 ' A' ' 20' ' ' LEU . 2.9 tp -47.51 -59.86 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.31 -45.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 mt -52.99 -44.16 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -61.47 -57.32 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.93 -24.47 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.77 29.78 6.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.718 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.87 -84.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 t -65.74 175.07 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -116.96 165.35 13.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -122.63 123.03 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.45 36.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 tptt -149.66 119.59 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.82 -10.76 86.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 3.33 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.771 HD22 HG13 ' A' ' 49' ' ' ILE . 18.6 mt -113.91 -39.17 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.52 -51.39 3.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.0 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.705 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.9 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -75.34 -45.9 36.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.08 -47.56 65.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -61.53 -60.96 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 49' ' ' ILE . 33.4 mt -51.69 -58.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.02 -38.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -59.16 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.437 0.161 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.02 157.33 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 11.3 t -84.12 156.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 166.12 92.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -127.02 -164.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -44.88 -31.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.38 -58.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.624 ' HB3' ' HD1' ' A' ' 4' ' ' PHE . . . -43.24 -38.89 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.19 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -53.74 -59.09 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.68 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -39.15 -45.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 15' ' ' GLN . 6.0 mtp180 -75.72 -59.64 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -27.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 13' ' ' ARG . 1.8 mm-40 -82.0 -57.79 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 13.6 p -45.3 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -36.08 123.81 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -150.9 -153.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.69 -39.51 98.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.771 HD12 HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -67.38 110.49 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASP . 15.8 tp -65.48 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -47.74 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.89 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.8 tp -52.02 -35.15 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 t70 -64.25 -27.02 68.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.72 -58.87 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 mt -40.74 -62.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 30.4 m-85 -40.05 -48.0 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.96 -49.68 6.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.2 -56.0 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.818 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.47 -51.39 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -66.1 -59.56 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.51 -24.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -94.12 -43.81 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -92.64 -72.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' MET . 24.6 t80 -38.31 -32.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -46.23 75.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t-80 -83.93 -33.76 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 42' ' ' GLU . 92.5 mt -51.12 -178.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -163.71 -174.71 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -47.73 -46.71 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.27 -67.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.765 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.6 mm-40 -54.39 -43.0 71.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -42.42 -43.89 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -57.05 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 29.7 mm-40 -61.15 -50.72 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -40.32 -52.99 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -58.92 -40.3 84.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.921 ' HB3' HD21 ' A' ' 72' ' ' LEU . 13.7 mt-10 -60.56 -44.58 96.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.848 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -74.65 -54.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 ' CD1' ' A' ' 12' ' ' ILE . 30.4 mt -43.61 -35.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.9 mt-10 -35.99 -39.81 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.6 m-85 -64.29 145.71 55.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 174.13 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.713 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.8 m-20 -70.42 -47.63 59.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.03 -60.54 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.6 -50.92 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 23' ' ' LEU . 55.5 tp -43.58 -61.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD22 HD12 ' A' ' 20' ' ' LEU . 6.3 tp -45.63 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.68 -46.92 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.3 mt -53.33 -52.42 59.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 61' ' ' ILE . 5.2 mm -48.01 -58.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.38 -34.29 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.36 26.01 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.701 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -84.23 -85.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.615 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.2 m -56.06 167.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -125.86 173.73 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 76' ' ' LEU . 1.9 t -128.55 122.41 30.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.66 38.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.834 ' HB2' HD12 ' A' ' 72' ' ' LEU . 17.4 mttt -138.14 117.89 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -13.03 74.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -18.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 48' ' ' GLU . 18.3 mt -98.12 -34.99 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -38.45 -49.92 3.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.5 Cg_endo -74.97 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 79' ' ' ILE . 96.3 mmm -48.85 -24.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' A' ' 49' ' ' ILE . 9.2 mt -75.71 -36.06 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' PRO . 3.2 mm-40 -61.42 -51.76 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 1.2 ptpm? -64.06 -54.11 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.818 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 36.0 mt -56.54 -61.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.6 ttt180 -47.43 -32.22 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -49.7 -61.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 34' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.17 131.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.38 150.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.805 ' CE1' HD13 ' A' ' 43' ' ' LEU . 3.7 t80 -64.3 144.85 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -177.21 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.77 -38.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.93 -55.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.89 -43.77 4.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -65.49 -42.37 92.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ILE . 9.9 tptm -50.14 -53.77 25.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -39.63 -51.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 mtt180 -75.53 -50.42 15.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.09 -30.51 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -78.92 -47.97 15.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.722 HG22 HD22 ' A' ' 50' ' ' LEU . 31.5 p -60.45 -161.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER 54.98 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 8.0 ttt85 70.36 120.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 123.75 -61.49 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -136.6 143.6 43.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.8 tp -64.17 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -43.21 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.937 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -51.13 -54.82 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.54 -37.42 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ILE . 6.9 mt -75.63 -51.25 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 23' ' ' LEU . 55.4 mt -38.36 -62.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -41.35 -55.0 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.03 -46.7 5.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -85.13 -62.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -42.27 -45.71 4.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -65.32 -37.24 86.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 31' ' ' MET . 0.6 OUTLIER -65.78 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -99.25 -3.24 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.635 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -126.65 -77.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' MET . 10.7 t80 -48.17 -32.18 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.14 -9.15 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -127.03 -41.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 34' ' ' GLU . 32.0 mt -43.7 114.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -75.77 174.59 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.2 t0 -44.28 -62.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -46.48 -57.66 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.7 mt-10 -53.44 -50.1 65.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD13 ' CE1' ' A' ' 4' ' ' PHE . 18.5 mt -44.71 -30.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 t -60.5 -44.28 96.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 6.9 mm-40 -63.41 -59.59 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -40.97 -48.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -39.71 23.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.1 tp10 -63.74 -68.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.74 -43.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 HD13 ' A' ' 12' ' ' ILE . 56.2 mt -51.45 -36.01 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 2.1 mm-40 -37.65 -34.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -78.78 148.74 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 174.51 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 9.3 m-20 -59.45 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -56.58 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.7 -50.5 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 23' ' ' LEU . 58.1 tp -48.23 -61.06 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 23' ' ' LEU . 6.7 tp -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.853 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.29 -47.84 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 65' ' ' SER . 3.8 mt -45.17 -61.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.763 HG23 ' HG3' ' A' ' 80' ' ' ARG . 58.8 mt -49.47 -44.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.27 -34.85 77.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.68 14.72 8.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.853 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -69.06 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.08 174.53 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -123.58 168.35 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.844 ' OG1' HD12 ' A' ' 72' ' ' LEU . 4.2 t -109.69 120.86 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -90.26 36.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -161.97 129.44 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.89 -6.59 88.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -79.53 -3.67 47.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.844 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.8 mt -111.14 -25.52 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -43.19 -48.04 15.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.99 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.573 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.3 mpp? -53.21 -34.97 59.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.1 mt -64.28 -41.26 96.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -57.25 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CE ' ' SD ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -64.63 -53.01 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.708 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 54.3 mt -53.41 -66.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.763 ' HG3' HG23 ' A' ' 61' ' ' ILE . 3.5 ttm180 -41.01 -37.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.9 -62.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.568 0.223 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER 53.62 169.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 4' ' ' PHE . 48.9 t -75.46 161.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.667 ' CZ ' ' CD1' ' A' ' 43' ' ' LEU . 9.5 p90 -113.31 173.93 6.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ALA . 27.8 m-20 -149.45 176.37 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -49.71 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -47.25 -49.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -51.37 -49.95 60.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.78 -41.1 56.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -42.19 70.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.8 tttp -55.12 -46.8 75.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -39.89 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -74.87 -44.07 50.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -55.77 -22.14 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.37 -48.97 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 27' ' ' PHE . 1.2 p -52.54 -59.29 4.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -37.01 135.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER 81.98 155.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.726 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 114.26 -62.37 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.768 HD23 ' CA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -152.58 139.91 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 0.728 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' ASP . 30.9 tp -54.87 -72.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.96 -49.44 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -49.04 -45.7 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 6.3 t0 -55.29 -34.54 64.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.01 -50.66 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 23' ' ' LEU . 6.6 mt -50.06 -57.98 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.6 m-85 -45.55 -45.88 13.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.39 -47.3 5.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -85.21 -57.83 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.824 ' CE1' HG23 ' A' ' 79' ' ' ILE . 6.6 t80 -38.38 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -85.42 -47.05 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.37 -28.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.15 -55.01 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 38' ' ' LEU . 12.3 mm-40 -74.64 -77.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 10.9 t80 -40.41 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 4.3 tm-20 -34.5 -53.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -155.18 53.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.655 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 34' ' ' GLU . 53.9 mt -57.79 129.74 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -75.4 171.83 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 9.9 t70 -55.72 -51.72 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -64.13 -44.35 92.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 1.2 mm-40 -59.26 -28.32 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.667 ' CD1' ' CZ ' ' A' ' 4' ' ' PHE . 13.2 mt -75.54 -17.2 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -75.27 -60.51 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 2.6 pm0 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -55.95 -56.86 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -60.55 -19.68 58.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.789 ' HB3' HD21 ' A' ' 72' ' ' LEU . 3.3 mt-10 -85.39 -47.14 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.887 HD13 HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -73.88 -42.43 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 46' ' ' PHE . 87.6 mt -54.22 -27.22 33.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.36 -34.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.2 153.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.07 163.79 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 5.8 m-20 -52.2 -58.67 5.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.768 ' CA ' HD23 ' A' ' 20' ' ' LEU . 1.4 tm0? -42.4 -58.59 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 23' ' ' LEU . 66.3 tp -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -44.83 -59.69 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.67 -47.76 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 2.4 mt -52.32 -44.73 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.32 -55.97 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -58.53 -32.92 69.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.48 3.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.918 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -81.89 -85.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.591 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.18 167.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -123.37 167.92 13.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 t -126.52 121.12 31.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.19 34.21 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 72' ' ' LEU . 62.2 mmtt -142.1 115.98 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.98 60.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 75' ' ' MET . 28.3 m-70 -89.3 -3.37 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD22 HG13 ' A' ' 49' ' ' ILE . 28.7 mt -109.94 -38.3 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -42.85 -49.14 13.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.06 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 30.4 mmt -57.27 -24.21 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.566 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.2 mt -75.91 -29.06 58.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 80' ' ' ARG . 4.1 mm-40 -65.96 -50.17 65.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -62.97 -34.76 78.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.887 HD12 HD13 ' A' ' 49' ' ' ILE . 64.8 mt -70.67 -50.36 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.436 ' CD ' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -56.7 -22.2 33.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -56.08 -66.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.49 0.186 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.66 61.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.71 145.74 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -177.61 119.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.651 ' H ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -168.85 166.61 11.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.45 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 5' ' ' ASP . 2.7 mp -74.48 -57.15 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.651 ' HB3' ' H ' ' A' ' 5' ' ' ASP . . . -42.39 -35.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -62.75 -61.1 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -63.82 -47.42 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.4 tttm -43.14 -50.81 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -56.48 -50.1 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -58.62 -54.7 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.96 -41.21 97.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.924 HG22 HD22 ' A' ' 50' ' ' LEU . 71.5 p -55.96 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.4 mmt180 -163.72 144.03 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CB ' ' CG ' ' A' ' 24' ' ' ASP . 43.0 ptt85 -91.06 15.03 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -34.45 -38.86 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.067 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' LEU . 2.1 mm? -125.33 124.33 41.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LEU . 11.6 tp -35.27 -79.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ILE . 2.4 tp10 -37.82 -54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.4 tp -51.91 -49.12 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 55.6 t0 -55.0 -42.36 72.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 4.2 mt -74.07 -43.72 56.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.8 mt -38.24 -64.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CE2' ' HB ' ' A' ' 16' ' ' THR . 49.0 m-85 -45.03 -38.77 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -43.0 -59.86 3.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.0 mtt85 -87.66 -49.08 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -37.55 -68.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.629 ' O ' ' N ' ' A' ' 35' ' ' PHE . 1.1 ttp -49.82 -53.64 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.1 -28.09 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -98.64 5.72 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' HIS . 3.7 mm-40 -135.29 -72.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.651 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.9 -37.52 9.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -64.05 -13.61 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' GLU . 73.6 t60 -120.19 -7.84 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.887 HD11 ' CE1' ' A' ' 46' ' ' PHE . 59.0 mt -66.18 -169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.2 m -163.05 164.07 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' SER . 65.7 t0 -37.81 -37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -62.48 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.724 ' CB ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm-40 -53.27 -38.64 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.623 HD12 ' CD2' ' A' ' 4' ' ' PHE . 3.9 mt -41.8 -40.74 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -64.12 -52.93 56.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.4 mm-40 -57.73 -57.29 13.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.887 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -43.26 -61.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -55.77 -19.22 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.976 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -85.45 -43.38 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -76.7 -40.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.924 HD22 HG22 ' A' ' 16' ' ' THR . 11.1 mt -60.35 -32.7 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -38.06 -40.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-85 -66.79 154.2 41.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -77.46 174.6 10.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.656 ' CB ' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -66.28 -61.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -42.52 -54.97 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.32 -44.99 93.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -53.97 -55.14 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 23' ' ' LEU . 3.3 tp -52.7 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.991 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -46.46 -44.17 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -49.07 -63.18 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -50.96 -42.19 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -64.53 -31.29 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 111.21 17.9 8.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.991 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.26 -83.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.593 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 174.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.51 165.17 17.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.0 t -122.44 123.07 40.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.8 t0 -89.06 36.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 24.2 mttt -157.07 122.44 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.23 -11.28 81.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.64 -5.47 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 HG13 ' A' ' 49' ' ' ILE . 2.5 mt -103.23 -26.08 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -40.99 -49.93 7.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -74.99 -35.43 3.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.681 ' O ' HD12 ' A' ' 79' ' ' ILE . 18.6 mmt -69.86 -24.33 63.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.9 mt -74.97 -27.3 60.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.0 -55.81 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 1.1 ptmt -58.01 -41.17 82.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 75' ' ' MET . 46.7 mt -71.83 -41.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 44.2 ttt-85 -64.03 -22.17 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tpt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.478 0.18 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.3 121.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 4' ' ' PHE . 23.8 t -80.15 162.97 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.824 ' CE2' HD13 ' A' ' 43' ' ' LEU . 3.2 p90 -104.76 157.68 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' ALA . 7.5 m-20 -123.59 169.75 11.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -33.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 9' ' ' LYS . 2.6 mp -60.57 -49.2 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.749 ' HB3' ' HD2' ' A' ' 4' ' ' PHE . . . -42.3 -28.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -66.35 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -61.6 -21.37 64.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 14.1 tttt -70.1 -44.53 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -46.1 -49.87 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -75.3 -54.26 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -45.84 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -83.6 -52.78 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.607 HG22 ' CE1' ' A' ' 27' ' ' PHE . 6.7 p -52.57 133.62 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 18.0 ttt180 -135.35 156.02 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -88.5 19.04 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.589 ' C ' HD22 ' A' ' 20' ' ' LEU . . . -37.16 -31.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.589 HD22 ' C ' ' A' ' 19' ' ' GLY . 3.6 mm? -131.39 137.56 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -42.86 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -56.0 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -45.14 -52.11 9.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 65.5 t0 -52.22 -45.88 65.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.9 mt -67.01 -46.86 73.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' A' ' 23' ' ' LEU . 58.3 mt -45.06 -61.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 16' ' ' THR . 16.3 m-85 -53.32 -16.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -62.4 -61.45 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -86.09 -46.67 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.988 ' CE1' HG23 ' A' ' 79' ' ' ILE . 33.7 t80 -38.07 -34.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -78.39 -45.57 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.93 -23.54 66.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -14.76 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD21 ' A' ' 38' ' ' LEU . 3.0 mm-40 -122.31 -76.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' MET . 4.0 t80 -43.25 -25.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -44.64 -50.65 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . 2.7 t-80 -155.32 58.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.889 HD21 ' HB3' ' A' ' 34' ' ' GLU . 51.6 mt -59.09 141.48 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.85 171.83 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.593 ' HA ' ' CE1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -68.3 -57.38 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -60.45 -45.03 95.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -43.0 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD13 ' CE2' ' A' ' 4' ' ' PHE . 15.3 mt -54.84 -28.43 49.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -59.37 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 1.2 mp0 -57.78 -51.32 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -46.86 -50.77 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -62.83 -19.75 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.939 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.35 -46.85 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.887 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -69.19 -44.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 12' ' ' ILE . 68.3 mt -50.4 -33.14 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -38.62 -34.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -80.83 151.28 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.2 174.97 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.494 ' CB ' HD23 ' A' ' 20' ' ' LEU . 4.4 m-20 -50.64 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -46.44 -60.58 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 3.5 mt-10 -51.55 -48.06 63.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.942 HD23 HD11 ' A' ' 23' ' ' LEU . 54.9 tp -57.72 -58.79 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 23' ' ' LEU . 5.0 tp -52.87 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.08 -43.45 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.6 mt -50.62 -63.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -50.48 -47.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -56.5 -34.68 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.81 19.58 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.866 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -79.24 -84.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.609 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.6 m -64.54 164.37 11.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -117.43 166.8 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' THR . 0.8 OUTLIER -128.91 120.26 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.91 35.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.1 mmpt? -136.13 117.49 14.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.01 -14.58 70.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -83.3 3.17 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 48' ' ' GLU . 45.8 mt -114.85 -39.09 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.534 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.27 -50.22 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.709 ' HG3' HD11 ' A' ' 79' ' ' ILE . 2.0 tpp -53.87 -31.7 50.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.786 ' HG ' HD11 ' A' ' 49' ' ' ILE . 4.9 mt -65.97 -45.67 80.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.087 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -56.33 -58.35 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.477 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.6 -62.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.988 HG23 ' CE1' ' A' ' 30' ' ' PHE . 63.0 mt -46.63 -45.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.95 -34.33 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -58.42 -69.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 3' ' ' VAL . 21.9 mtt . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.513 0.197 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.79 107.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 1' ' ' MET . 46.9 t -142.37 158.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CG ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -149.53 165.63 31.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.05 -179.6 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.8 -32.59 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.41 -43.04 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -61.12 -57.47 12.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -60.5 -35.03 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.59 -27.06 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -75.3 -35.58 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -42.5 -52.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' HE2' ' A' ' 31' ' ' MET . 0.0 OUTLIER -75.62 -38.09 59.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -20.7 66.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.39 -37.71 19.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.516 HG21 ' HE3' ' A' ' 31' ' ' MET . 1.3 p -65.11 -168.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 64.18 122.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.18 -153.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.92 52.04 2.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.662 HD13 HD22 ' A' ' 58' ' ' LEU . 3.3 mt -146.7 112.34 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLU . 60.7 tp -65.3 -73.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -38.54 -49.76 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.981 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.4 tp -57.34 -51.75 68.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.13 -36.35 40.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.692 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -70.22 -49.15 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.981 HD12 ' HA ' ' A' ' 23' ' ' LEU . 25.9 mt -47.02 -61.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 31' ' ' MET . 19.4 m-85 -44.19 -40.63 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.88 -59.43 3.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.7 mmt180 -84.41 -48.12 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CE2' HG23 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -42.73 -27.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.583 ' HE2' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.64 -40.22 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tt0 -63.78 -21.47 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -25.59 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.774 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.4 mp0 -117.46 -77.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 12' ' ' ILE . 13.4 t80 -41.74 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' MET . 6.4 tt0 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.4 t-160 -155.01 55.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 34' ' ' GLU . 29.4 mt -57.15 -162.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -160.37 150.74 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 4.8 t0 -41.9 -63.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -57.76 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' SER . 13.6 mt-10 -81.88 -14.95 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD12 ' CG ' ' A' ' 4' ' ' PHE . 3.8 mt -75.97 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 32.8 t -41.42 -60.26 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -50.05 -48.43 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -62.72 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 33.0 t -66.96 -22.83 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB3' HD21 ' A' ' 72' ' ' LEU . 1.4 tp10 -83.14 -43.91 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.738 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.17 -38.54 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.8 mt -64.03 -37.25 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -39.78 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -71.81 156.72 39.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 160.02 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.941 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -53.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.87 -57.04 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.01 -49.09 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 23' ' ' LEU . 8.5 tp -54.6 -55.98 23.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.842 ' CD1' HD13 ' A' ' 23' ' ' LEU . 3.3 tp -52.37 -63.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.809 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.7 -43.46 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.1 mt -50.68 -60.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.56 -47.64 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.54 -26.73 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 106.25 19.24 10.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.809 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.19 -85.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.608 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.28 166.65 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.25 171.37 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 t -132.93 122.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.11 34.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 19.8 mttm -147.52 116.91 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.52 89.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -10.88 59.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.738 HD22 HG13 ' A' ' 49' ' ' ILE . 2.2 mt -97.09 -24.09 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.21 -49.71 8.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -36.39 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 79' ' ' ILE . 27.9 mmt -69.54 -22.35 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -74.93 -35.94 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -57.98 6.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -53.57 -56.85 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.745 HG23 ' CE2' ' A' ' 30' ' ' PHE . 52.8 mt -55.55 -45.54 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -52.61 -44.3 65.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -59.55 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' HG23 ' A' ' 3' ' ' VAL . 2.6 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.538 0.209 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.86 81.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 2.9 t -137.71 148.91 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.038 ' CE1' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER 179.18 83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' ASP . 24.3 m-20 -134.26 177.47 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' ASP . 46.3 m-20 -39.74 -47.77 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -55.27 -57.79 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.54 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -61.17 -61.19 2.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -29.37 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -59.22 -52.72 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.736 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -44.33 -52.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 ttm180 -70.56 -55.75 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -47.3 -39.79 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -58.74 -49.49 77.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' ILE . 31.2 p -65.99 168.97 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -163.5 25.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.3 ptm180 37.79 30.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . -37.3 -42.01 0.81 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.79 150.72 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.24 -66.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.77 -40.02 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.904 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -58.82 -53.23 60.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -36.78 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.74 -53.5 50.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 23' ' ' LEU . 5.1 mt -50.33 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' A' ' 23' ' ' LEU . 14.5 m-85 -48.29 -21.47 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.93 -52.46 3.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -86.21 -70.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -36.42 -45.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.618 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -64.52 -50.9 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.84 -29.05 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.28 -27.66 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -86.7 -70.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.672 ' HA ' HD12 ' A' ' 38' ' ' LEU . 34.6 t80 -46.79 -41.98 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -10.3 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -122.55 -8.84 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 35' ' ' PHE . 38.1 mt -60.27 -171.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.2 m -164.2 169.07 18.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 7.8 t0 -48.32 -57.82 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -64.9 -34.97 79.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HB2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -65.09 -46.6 80.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.038 HD11 ' CE1' ' A' ' 4' ' ' PHE . 7.8 mt -40.22 -38.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -59.17 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' GLU . 21.6 mt-10 -49.71 -61.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -44.42 -43.9 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -29.56 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -79.8 -37.37 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -75.26 -49.0 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 49' ' ' ILE . 48.1 mt -49.96 -26.36 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.8 mm-40 -36.97 -34.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.7 m-85 -83.35 149.92 26.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.6 173.74 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -59.79 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.05 -44.52 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 23' ' ' LEU . 22.1 tp -51.5 -61.13 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 23' ' ' LEU . 4.5 tp -46.27 -61.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.31 -45.43 34.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.859 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mt -53.54 -44.13 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.53 -56.42 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.41 -25.59 50.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.32 30.46 5.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.771 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -81.47 -86.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 0.0 109.623 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -62.44 174.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -119.1 168.42 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.9 t -126.77 120.88 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.06 29.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.99 120.68 17.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -72.96 -1.31 55.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.433 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.5 m80 -88.48 -11.12 46.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.574 HD12 ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -109.28 -38.1 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.85 -49.53 10.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -64.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.864 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.09 -23.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 20.5 mt -71.35 -42.76 68.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -59.68 -58.77 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -53.46 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 75' ' ' MET . 20.7 mt -49.9 -50.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 61.5 ttt180 -54.26 -35.68 62.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -61.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.543 0.211 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.8 ttm -165.93 62.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.39 151.15 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.737 ' CD2' HD13 ' A' ' 43' ' ' LEU . 9.0 p90 -146.99 169.5 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.87 -177.55 5.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -43.25 -48.11 6.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -50.45 -50.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -54.22 -49.67 68.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.81 -58.95 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -47.72 -39.48 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' GLN . 8.3 tttt -52.6 -53.48 46.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -40.43 -50.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.4 ttt180 -74.92 -55.31 5.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -48.73 -22.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 6.7 mm-40 -80.68 -56.51 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 12' ' ' ILE . 69.8 p -44.87 -67.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 2.3 mtp180 61.57 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -74.27 56.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -68.09 -26.3 74.11 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 19' ' ' GLY . 1.5 mp -136.02 131.68 35.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . 56.7 tp -37.86 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -37.61 -52.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.06 -57.07 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 16.2 t0 -46.73 -42.54 16.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.1 mt -70.08 -53.72 16.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 23' ' ' LEU . 19.6 mt -43.48 -62.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.913 ' CE2' HD12 ' A' ' 23' ' ' LEU . 36.5 m-85 -46.41 -24.15 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.62 -56.57 22.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -83.99 -29.67 26.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.9 -41.45 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.506 ' CA ' ' HB3' ' A' ' 35' ' ' PHE . 25.9 mtm -68.51 -56.0 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 36' ' ' GLU . 3.7 tt0 -46.36 -24.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -58.78 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -75.21 -75.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -41.8 -23.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.2 tp10 -33.32 -71.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.99 57.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 46' ' ' PHE . 97.3 mt -56.42 134.94 54.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 169.53 15.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.57 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 t0 -66.83 -53.08 36.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -64.62 -39.51 93.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.737 HD13 ' CD2' ' A' ' 4' ' ' PHE . 14.4 mt -55.93 -45.58 78.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 t -49.98 -45.44 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 23.2 mm-40 -58.31 -60.88 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CD2' HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -45.21 -44.59 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -32.03 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.783 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.8 mm-40 -77.43 -39.26 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.21 -51.53 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' N ' HG22 ' A' ' 49' ' ' ILE . 7.1 mt -46.89 -25.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.9 mm-40 -37.25 -38.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.706 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -84.33 150.94 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.76 177.07 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -50.38 -55.98 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -46.08 -60.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.3 mm-40 -59.02 -51.13 71.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -48.76 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 23' ' ' LEU . 5.7 tp -47.65 -60.18 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.65 -48.4 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 65' ' ' SER . 4.0 mt -50.2 -63.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.6 mt -50.12 -48.02 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.4 -36.17 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.65 25.16 3.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.859 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -85.8 -77.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.707 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.16 160.52 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.58 169.93 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.735 ' OG1' HD12 ' A' ' 72' ' ' LEU . 12.0 t -115.13 123.56 49.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.6 36.44 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.77 126.6 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.72 -6.96 87.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 75' ' ' MET . 39.0 m-70 -82.62 -2.92 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 49' ' ' ILE . 13.1 mt -104.45 -33.52 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.1 mt -41.65 -49.04 10.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -38.35 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.82 ' O ' HD12 ' A' ' 79' ' ' ILE . 15.4 mmt -68.21 -20.78 64.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 80' ' ' ARG . 7.7 mt -76.51 -47.3 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -52.68 -49.06 66.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -66.25 -58.83 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 75' ' ' MET . 25.5 mt -56.62 -68.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -38.04 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.02 -60.57 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.52 0.2 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 176.88 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 4' ' ' PHE . 46.1 t -143.04 161.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 40' ' ' ASP . 1.4 p90 -118.54 161.52 19.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.6 m-20 -142.05 -176.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -43.34 -39.92 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.06 -46.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' HD2' ' A' ' 4' ' ' PHE . . . -60.17 -36.7 78.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -57.53 -59.77 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -44.59 -40.31 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.5 -48.82 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -41.37 -52.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.3 mtt180 -76.01 -51.58 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -46.18 -25.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.46 -45.04 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 12' ' ' ILE . 76.8 p -70.08 -174.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 2.3 mtt-85 58.54 154.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 2.9 ttt-85 79.94 82.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 165.1 -51.3 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.1 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -144.31 146.94 32.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.28 -71.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -39.79 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.47 -55.91 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -46.4 -36.8 6.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.69 -55.26 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.6 mt -40.5 -61.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD12 ' A' ' 23' ' ' LEU . 43.9 m-85 -43.16 -43.4 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' GLU . . . -42.25 -58.04 3.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.4 mtm180 -86.92 -49.52 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.849 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -36.98 -46.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -77.4 -58.48 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -44.58 -25.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' MET . 1.4 mttm -96.94 -32.82 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' HIS . 63.6 mm-40 -97.59 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -38.25 -31.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.3 tm-20 -66.48 -44.6 82.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' GLU . 39.9 m170 -87.64 -22.7 24.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.849 HD11 ' CE1' ' A' ' 46' ' ' PHE . 19.5 mt -46.48 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -163.78 160.28 22.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . 1.9 t70 -36.9 -60.05 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.1 -53.54 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -56.65 -49.51 74.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 43' ' ' LEU . 4.0 mt -42.84 -46.69 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -37.2 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.7 OUTLIER -74.9 -54.6 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.849 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -48.1 -41.46 26.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 t -60.93 -23.44 65.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.56 -46.15 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.836 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -71.06 -46.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 46' ' ' PHE . 77.2 mt -49.76 -31.81 12.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -37.49 -34.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.803 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -82.59 149.31 27.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.69 170.23 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.65 -58.78 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.27 -61.21 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.5 mm-40 -53.44 -50.82 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 23' ' ' LEU . 45.7 tp -51.29 -60.43 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.1 HD22 HD23 ' A' ' 20' ' ' LEU . 3.8 tp -52.54 -60.58 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.995 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.06 -44.39 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 52' ' ' PHE . 1.8 mt -49.79 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG23 ' HG3' ' A' ' 80' ' ' ARG . 66.9 mt -48.91 -45.7 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.81 -34.6 77.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 112.49 23.97 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.995 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -81.57 -83.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.3 t -59.7 175.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -121.01 161.36 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 67' ' ' THR . 4.8 t -137.53 98.03 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.94 39.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' HD12 ' A' ' 72' ' ' LEU . 9.2 mttt -131.69 109.49 10.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.79 -13.95 53.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -87.5 1.25 54.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 48' ' ' GLU . 50.0 mt -115.81 -41.17 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -38.34 -50.24 3.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mmt -48.43 -24.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.8 mt -74.0 -35.68 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -62.43 -54.8 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.97 -54.48 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 30' ' ' PHE . 40.9 mt -56.21 -43.07 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.57 ' HG3' HG23 ' A' ' 61' ' ' ILE . 1.4 tmm_? -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -52.04 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mtt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.473 0.178 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.36 168.31 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 t -79.32 148.81 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.077 ' CE1' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -179.49 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' ALA . 13.2 m-20 -132.32 176.18 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -32.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -62.03 -52.46 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -43.93 -35.14 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -54.98 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 HH21 HG13 ' A' ' 7' ' ' ILE . 54.4 mtm180 -54.4 -46.83 73.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -48.63 -49.3 37.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -39.6 -55.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' N ' HG22 ' A' ' 12' ' ' ILE . 9.5 mtp180 -75.94 -51.64 11.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -41.87 -28.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -66.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 74.4 p -43.63 -60.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -34.14 126.86 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -159.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.03 20.87 26.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 23.1 tp -65.43 -76.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -35.27 -54.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -50.94 -55.84 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -36.3 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLY . 7.5 mt -75.93 -51.43 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 23' ' ' LEU . 22.1 mt -44.25 -54.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.993 ' CE2' HD12 ' A' ' 23' ' ' LEU . 62.2 m-85 -50.78 -28.65 9.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -56.94 -74.08 0.37 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 2.9 ptm180 -57.2 -23.0 44.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CE1' HG23 ' A' ' 79' ' ' ILE . 1.3 t80 -75.95 -46.37 30.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.511 ' CB ' ' HB3' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -71.67 -41.61 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.43 -27.17 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.76 -49.32 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.59 ' HB3' HD21 ' A' ' 38' ' ' LEU . 63.9 mm-40 -79.8 -77.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -39.88 -27.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -36.32 -65.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -141.35 56.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 34' ' ' GLU . 38.5 mt -55.73 -165.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -162.38 154.25 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.43 -56.3 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.06 68.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.4 mm-40 -85.18 -13.23 50.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.077 HD11 ' CE1' ' A' ' 4' ' ' PHE . 12.7 mt -76.14 -51.0 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.2 -61.39 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -49.46 -52.74 27.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -54.2 -48.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.37 -40.78 93.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -66.53 -41.14 89.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.757 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -75.13 -52.25 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.9 mt -45.98 -27.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.3 mm-40 -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -82.8 152.36 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 176.07 8.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 m-20 -62.42 -60.75 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -42.08 -51.94 4.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 11.2 mm-40 -67.85 -41.06 83.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.871 HD23 HD11 ' A' ' 23' ' ' LEU . 40.6 tp -57.61 -61.84 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.814 HD13 HD22 ' A' ' 23' ' ' LEU . 6.9 tp -43.13 -58.72 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -52.53 -49.82 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' GLY . 3.1 mt -51.55 -63.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.92 -43.6 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -66.96 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.83 25.95 4.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.549 1.156 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.794 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -84.58 -82.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.547 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 174.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.35 171.88 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.474 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.35 120.31 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.25 0.89 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 22.9 mttp -120.26 103.7 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.3 -8.03 48.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' MET . 3.6 m80 -73.76 -5.01 38.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.578 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 49' ' ' ILE . 2.9 mt -104.84 -20.78 13.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -44.51 -47.4 26.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.05 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.551 ' HE3' ' CE ' ' A' ' 78' ' ' LYS . 33.8 mmm -55.7 -22.5 23.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.9 mt -75.88 -31.74 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.45 -56.79 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.551 ' CE ' ' HE3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -55.41 -49.52 72.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.74 HG23 ' CE1' ' A' ' 30' ' ' PHE . 79.2 mt -63.47 -67.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 24.6 ttp180 -37.71 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.38 -65.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.23 64.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 4' ' ' PHE . 60.7 t -97.75 162.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.9 ' CE1' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -153.33 129.96 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -161.58 177.47 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.13 -44.43 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.9 mp -55.22 -52.16 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.02 2.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -60.7 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -44.52 -44.98 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -49.46 -41.39 40.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -49.68 -52.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.58 -50.86 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.24 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.61 -25.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -84.65 -53.6 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 33.3 p -57.2 -163.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.0 150.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 71.94 -179.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 48.86 97.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER 66.01 110.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -57.85 -44.95 86.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.64 -43.48 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.978 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -58.71 -33.71 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -68.45 -39.82 81.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.2 mt -68.8 -49.52 57.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.978 HD12 ' HA ' ' A' ' 23' ' ' LEU . 39.8 mt -40.58 -52.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 18.1 m-85 -53.28 -40.9 65.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -41.96 -50.77 5.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.49 -51.66 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -42.82 -33.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.416 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 mtt -83.97 -53.8 5.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.93 -27.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HD2' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.92 -54.23 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HB3' HD21 ' A' ' 38' ' ' LEU . 23.9 mt-10 -75.76 -75.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' GLU . 1.2 t80 -40.95 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLU . 12.3 tt0 -34.22 -55.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -153.53 53.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 53.8 mt -58.61 142.68 48.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.65 167.05 22.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.7 t0 -64.29 -58.03 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -59.04 -38.71 79.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' A' ' 78' ' ' LYS . 1.1 tp10 -61.93 -44.9 95.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.9 HD13 ' CE1' ' A' ' 4' ' ' PHE . 9.1 mt -45.88 -46.73 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -58.26 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -48.93 -57.79 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.46 -56.46 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 t -61.43 -24.96 66.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 2.1 tp10 -78.84 -43.34 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.785 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.86 -46.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 12' ' ' ILE . 76.9 mt -52.19 -31.38 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.6 mt-10 -35.21 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LEU . 10.1 m-85 -85.87 147.88 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.45 160.79 30.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.802 ' HB3' HD23 ' A' ' 23' ' ' LEU . 5.0 m-20 -51.52 -46.33 63.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.819 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.8 tm0? -45.26 -59.97 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 mm-40 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.77 -61.29 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -50.55 -60.3 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -50.28 -45.4 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -49.89 -60.59 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -53.2 -43.23 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.99 -22.04 66.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.14 31.25 6.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.816 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.95 -89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.59 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.2 m -60.58 171.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -117.85 172.38 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.759 ' OG1' HD12 ' A' ' 72' ' ' LEU . 13.6 t -120.4 120.56 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.05 -0.88 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.5 mptt -128.89 114.68 16.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 -5.06 45.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -83.19 3.75 29.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 49' ' ' ILE . 10.7 mt -108.54 -39.12 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.13 -50.46 8.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.6 -22.64 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.594 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.5 mt -75.27 -35.12 61.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -62.55 -55.59 25.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -58.17 -36.6 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 75' ' ' MET . 63.1 mt -71.32 -56.02 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -39.16 -50.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -51.52 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.492 0.187 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.39 167.55 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 4' ' ' PHE . 21.4 t -76.48 162.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.006 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -75.01 139.57 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.866 ' H ' ' HB3' ' A' ' 8' ' ' ALA . 69.1 m-20 -165.95 -177.33 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -47.55 -34.65 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -74.95 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' H ' ' A' ' 5' ' ' ASP . . . -48.5 -34.24 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.23 -26.19 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 15' ' ' GLN . 2.4 mmtp -74.91 -40.5 60.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -42.67 -50.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.8 mtt180 -75.58 -45.45 37.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.53 -16.87 27.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.53 -58.88 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.588 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 65.4 p -44.44 -56.5 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 132.67 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.3 -152.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.06 44.32 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 54' ' ' ASP . 5.7 mp -140.66 107.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.54 -69.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -56.22 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tp -50.04 -40.61 45.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -36.32 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -75.41 -50.46 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 34.5 mt -40.36 -61.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 46.5 m-85 -43.66 -45.05 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.3 -51.35 5.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.5 mmt180 -85.59 -52.98 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -46.29 -49.4 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' PHE . 95.7 mtp -60.69 -50.91 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.22 -23.28 67.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.46 -12.21 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' HIS . 18.7 mm-40 -128.59 -75.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 38' ' ' LEU . 38.7 t80 -40.67 -34.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -38.91 90.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -92.12 -15.35 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 35' ' ' PHE . 17.4 mt -54.43 -169.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 43' ' ' LEU . 15.2 m -164.25 177.28 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.608 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -51.71 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -65.39 -20.75 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 3.9 mt-10 -85.07 -12.51 52.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.006 HD12 ' CD1' ' A' ' 4' ' ' PHE . 2.3 mt -71.99 -38.24 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 m -53.43 -59.31 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 7.4 pt-20 -47.7 -43.72 26.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.997 ' CE1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -60.96 -57.87 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -26.14 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -74.38 -41.12 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.633 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.63 -41.16 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD11 ' CE1' ' A' ' 46' ' ' PHE . 69.2 mt -64.37 -14.83 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . 3.4 mm-40 -36.39 -35.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.627 ' CD2' HD12 ' A' ' 60' ' ' LEU . 10.8 m-85 -78.81 145.81 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 1.6 mp0 -65.99 175.19 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.813 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.1 m-20 -64.25 -48.66 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.91 67.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.69 -52.2 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD23 HD21 ' A' ' 23' ' ' LEU . 14.9 tp -45.19 -61.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.646 ' CD1' HD13 ' A' ' 23' ' ' LEU . 5.8 tp -42.78 -57.21 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.937 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.6 -49.47 46.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -49.32 -63.65 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -47.71 -44.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.92 -29.89 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 109.66 29.06 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.937 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -90.85 -85.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.621 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -54.89 165.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 162.82 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 67' ' ' THR . 3.6 t -137.8 98.31 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.59 36.71 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' HB2' HD12 ' A' ' 72' ' ' LEU . 33.3 mmtt -128.18 105.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -60.89 -13.11 31.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.427 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.57 1.81 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.566 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 HG13 ' A' ' 49' ' ' ILE . 10.8 mt -123.6 -40.47 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -39.88 -50.18 5.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.63 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.37 -22.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 49' ' ' ILE . 12.0 mt -71.56 -47.72 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 2.3 mm-40 -55.35 -56.7 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -56.15 -64.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.68 HG23 ' CE1' ' A' ' 30' ' ' PHE . 62.5 mt -48.15 -51.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 2.0 ttt-85 -47.89 -48.05 31.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -57.58 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.509 0.195 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttp -97.76 75.68 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.83 154.16 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CD2' HD12 ' A' ' 43' ' ' LEU . 3.5 t80 -155.05 124.88 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -172.59 167.05 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.21 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 5' ' ' ASP . 42.5 mm -72.76 -49.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.5 -34.84 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -66.31 -61.22 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -61.55 -23.56 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' GLN . 9.8 tptt -75.15 -57.27 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CD1' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -44.89 -48.06 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 ttp180 -61.58 -57.13 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -65.37 -9.5 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.35 -18.28 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.732 HG22 HD22 ' A' ' 50' ' ' LEU . 82.4 p -85.33 -44.5 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -37.92 141.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.24 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 8.1 ttt180 83.98 140.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 -63.51 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 20' ' ' LEU . 3.0 mt -151.57 137.94 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.37 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.57 -44.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.972 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.36 -54.93 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.85 -37.33 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 25' ' ' LEU . 2.8 mt -74.54 -50.78 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 23' ' ' LEU . 18.7 mt -45.0 -49.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.952 ' CE2' HD12 ' A' ' 23' ' ' LEU . 57.5 m-85 -56.92 -41.4 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -41.69 -42.84 3.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -51.43 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -47.79 -40.42 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.615 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -66.22 -40.98 90.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.2 tt0 -59.85 -24.8 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -96.55 -54.0 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 72.6 mm-40 -75.43 -77.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.31 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.1 tt0 -34.68 -67.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -142.4 56.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 42.8 mt -55.03 -167.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -161.76 157.53 24.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' SER . 6.4 t0 -39.42 -63.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.32 -48.08 9.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -55.72 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 4' ' ' PHE . 6.9 mt -41.81 -51.18 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -59.7 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mp0 -68.12 -57.21 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -41.84 -47.65 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -63.37 -36.5 83.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.535 ' CB ' HD21 ' A' ' 72' ' ' LEU . 34.4 mm-40 -64.49 -43.61 93.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.8 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.57 -43.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD22 HG22 ' A' ' 16' ' ' THR . 70.6 mt -60.89 -35.59 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -38.63 -33.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.4 m-85 -78.28 152.57 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -78.81 164.96 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.537 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.9 m-20 -54.51 -57.57 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -43.27 -55.06 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.12 -40.54 94.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.777 HD23 HD11 ' A' ' 23' ' ' LEU . 47.4 tp -56.7 -61.7 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.632 HD13 HD22 ' A' ' 23' ' ' LEU . 8.1 tp -47.83 -57.04 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.877 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -51.14 -46.87 62.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.49 -60.05 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.04 -45.89 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.93 -29.95 68.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 107.57 27.86 5.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.877 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -88.42 -87.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 0.0 109.595 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.7 t -59.12 174.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.8 mp0 -121.78 171.19 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.637 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.5 t -119.86 120.73 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -90.86 20.71 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 68' ' ' ASP . 23.7 mmtt -140.15 118.18 11.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.99 -9.3 66.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -79.09 -3.22 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 49' ' ' ILE . 19.1 mt -105.17 -37.88 6.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -35.68 -51.48 1.47 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -58.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.5 -28.46 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.0 mt -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 mm-40 -58.63 -54.41 47.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.47 -50.59 64.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 75' ' ' MET . 60.5 mt -58.71 -68.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.83 -29.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -46.99 -57.0 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.23 -25.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -69.6 -54.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.94 -32.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -61.63 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -29.0 69.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ILE . 4.1 tttm -61.18 -55.5 31.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.69 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.08 -49.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 mtt180 -75.06 -57.44 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.91 -27.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.52 -47.14 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.703 HG22 HD22 ' A' ' 50' ' ' LEU . 23.6 p -62.57 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 63.87 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -166.49 -149.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.37 37.76 3.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 58' ' ' LEU . 7.6 mp -137.79 107.33 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' ASP . 36.3 tp -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.654 ' CD ' HD11 ' A' ' 26' ' ' ILE . 1.8 tm-20 -46.24 -48.74 17.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.955 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.1 tp -61.46 -29.49 70.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.0 t70 -73.01 -32.39 65.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.0 mt -74.93 -48.39 24.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 23' ' ' LEU . 14.7 mt -44.86 -62.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 26.7 m-85 -42.13 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.94 -61.51 2.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -48.13 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 1.004 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.51 -59.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.66 -58.31 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -47.26 -24.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -46.3 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -85.22 -69.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' MET . 83.0 t80 -39.61 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.62 82.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' GLU . 23.8 m80 -86.01 -40.88 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD11 ' HB3' ' A' ' 34' ' ' GLU . 79.9 mt -44.65 111.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -76.03 169.35 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.979 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.1 m-20 -42.9 -54.45 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -54.83 -55.88 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.21 -43.63 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 40' ' ' ASP . 12.5 mt -52.42 -28.25 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.4 mm-40 -67.69 -45.82 74.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.69 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -45.7 -41.23 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.514 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 44.5 t -63.38 -32.0 73.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.873 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.3 mt-10 -67.13 -44.1 80.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.19 -44.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 16' ' ' THR . 81.0 mt -59.22 -37.69 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.8 mm-40 -39.1 -38.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.29 156.18 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.35 174.86 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.61 ' CB ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -68.37 -53.37 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.05 -58.9 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.31 -48.25 62.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB3' HD21 ' A' ' 23' ' ' LEU . 37.6 tp -52.47 -60.58 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 20' ' ' LEU . 4.9 tp -50.63 -62.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.928 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.02 -46.37 33.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.9 mt -47.36 -63.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 mt -49.6 -47.98 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -59.38 -28.13 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.98 25.22 6.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.928 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -84.79 -81.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.602 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -66.01 175.19 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.51 172.34 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.1 t -124.48 120.83 33.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -92.63 36.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 tptt -152.38 126.11 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.07 -6.51 88.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -14.54 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.873 HD21 ' HB3' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -98.3 -21.99 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -44.87 -48.5 29.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.97 -46.11 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 49' ' ' ILE . 1.9 tpp -57.07 -34.58 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.0 mt -64.9 -46.27 82.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.69 -54.9 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' MET . 14.5 ptpt -65.15 -58.53 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 1.004 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 50.9 mt -52.13 -67.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.8 tmm_? -40.0 -34.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -56.04 -67.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -40.4 -40.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mt -55.62 -51.27 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -50.22 -42.85 52.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -51.28 -56.86 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -44.1 -43.43 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -53.14 -45.96 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.92 -53.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -76.32 -51.67 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.27 -23.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.19 -46.61 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 12' ' ' ILE . 22.0 p -60.89 -166.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 46.57 -175.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 2.3 ttt180 53.58 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.911 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 142.58 -55.22 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.911 HD22 ' O ' ' A' ' 19' ' ' GLY . 1.6 mm? -143.24 142.43 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.43 -70.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -39.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -55.06 -56.46 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -45.84 -35.47 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.5 mt -75.45 -55.73 5.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 16.0 mt -38.94 -58.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 23' ' ' LEU . 45.9 m-85 -47.47 -42.95 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -42.22 -50.41 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -85.38 -58.08 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -38.23 -33.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' PHE . 29.4 mtp -80.64 -56.44 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -46.71 -24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -91.82 -49.57 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 2.7 mp0 -88.52 -71.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' A' ' 38' ' ' LEU . 11.4 t80 -42.33 -22.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 14.0 pt-20 -34.19 -49.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.53 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -158.4 49.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.641 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -57.1 130.17 44.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.484 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.9 m -75.35 -175.16 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -72.23 -58.44 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -57.12 -32.86 66.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -50.65 60.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 40' ' ' ASP . 5.5 mt -48.99 -49.47 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.35 -58.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -53.75 -52.27 60.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -48.66 -53.0 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -61.78 -28.81 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.051 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -77.07 -40.53 45.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -76.62 -46.94 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 46' ' ' PHE . 72.8 mt -55.27 -19.12 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.6 mm-40 -37.0 -35.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -85.6 153.02 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.54 174.22 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -51.92 -63.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.66 ' CA ' HD23 ' A' ' 20' ' ' LEU . 4.0 tm0? -42.81 -61.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -54.68 -45.37 73.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -55.14 -60.63 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.833 HD13 HD22 ' A' ' 23' ' ' LEU . 4.0 tp -47.02 -61.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.7 -46.01 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.6 mt -53.28 -60.93 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.3 mt -47.98 -48.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -59.87 -29.98 68.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.04 12.55 17.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.591 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.33 -80.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.605 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.538 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -63.21 164.13 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -117.0 167.9 10.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.899 ' OG1' HD12 ' A' ' 72' ' ' LEU . 5.5 t -116.43 122.41 44.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -80.97 7.67 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 117.68 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.48 -2.44 42.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -80.92 -2.13 46.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.564 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.899 HD12 ' OG1' ' A' ' 67' ' ' THR . 4.7 mt -108.84 -31.59 7.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.39 -49.96 9.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -75.07 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.881 ' O ' HD12 ' A' ' 79' ' ' ILE . 38.2 mmt -54.95 -26.15 34.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.1 mt -72.39 -35.5 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.05 -55.97 20.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -57.12 -60.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.881 HD12 ' O ' ' A' ' 75' ' ' MET . 13.7 mt -50.41 -52.59 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ttt85 -46.81 -44.61 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -62.66 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ASP . 5.6 m-20 -40.64 -38.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.2 -52.73 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.75 -49.31 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -51.23 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -42.32 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLN . 5.0 ttpt -55.95 -42.08 75.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -47.95 -52.51 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.488 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -73.53 -40.52 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.65 -16.64 63.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -85.44 -44.53 12.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.875 HG22 HD22 ' A' ' 50' ' ' LEU . 7.6 p -57.53 -167.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -179.85 145.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 ptm180 -85.16 42.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -50.79 -30.28 21.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 20' ' ' LEU . 1.6 mm? -130.55 164.85 23.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.96 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -43.48 -45.21 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.946 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -52.06 -57.75 8.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 15.9 t0 -46.03 -39.39 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.0 mt -74.95 -44.43 48.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.6 mt -44.87 -61.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.517 ' CE2' HD12 ' A' ' 23' ' ' LEU . 21.4 m-85 -53.56 -18.67 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -69.38 -54.24 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.34 -48.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 7.7 t80 -38.8 -66.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG2' ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -48.5 -53.35 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -44.85 -27.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -50.62 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 1.1 mp0 -76.25 -73.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -41.25 -25.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.5 tp10 -34.58 -61.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.86 54.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.599 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 46' ' ' PHE . 41.4 mt -55.68 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -162.48 156.1 20.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -39.05 -50.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -50.16 -56.2 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.19 -41.18 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 mt -46.53 -43.64 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -59.59 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 75' ' ' MET . 8.1 mt-10 -57.15 -61.48 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.51 -61.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -46.54 -26.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.63 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.854 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -44.37 -33.0 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 HG22 ' A' ' 16' ' ' THR . 42.4 mt -68.17 -46.35 70.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLU . 3.2 mm-40 -38.45 -34.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -70.96 152.32 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 171.93 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -63.16 -59.95 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.76 -56.65 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.42 -42.4 99.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.946 HD23 HD11 ' A' ' 23' ' ' LEU . 56.4 tp -57.61 -61.17 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.812 HD13 HD22 ' A' ' 23' ' ' LEU . 4.8 tp -48.4 -61.73 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.01 -44.54 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 52' ' ' PHE . 3.3 mt -54.0 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -47.35 -49.42 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.37 -33.71 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.59 27.61 4.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.658 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -88.18 -84.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -53.8 176.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.88 167.87 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -133.07 121.24 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.03 35.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' HD12 ' A' ' 72' ' ' LEU . 71.0 mmtt -145.23 119.05 9.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.49 -4.86 89.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -20.11 53.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.786 . . . . 0.0 109.631 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 48' ' ' GLU . 1.7 mt -93.35 -24.16 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.2 -48.92 8.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.03 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.8 -30.23 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 76' ' ' LEU . 6.4 mt -67.28 -31.86 72.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' PRO . 5.1 mm-40 -71.44 -53.45 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -65.21 -42.91 93.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.754 ' CD1' HD13 ' A' ' 49' ' ' ILE . 66.4 mt -63.58 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.71 -22.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' ALA . 5.3 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 7' ' ' ILE . 2.8 p30 -43.63 -27.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 70.3 mt -65.79 -49.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.69 -24.76 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -58.53 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -44.94 -38.56 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ILE . 35.5 mmtt -53.84 -53.07 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.667 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -40.26 -50.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.26 -53.75 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -44.56 -25.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -51.45 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.611 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 20.9 p -56.45 -166.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 59.51 165.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.2 mtp180 67.42 176.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.927 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 73.58 -55.01 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.004 HD23 HD22 ' A' ' 58' ' ' LEU . 3.7 mp -143.35 136.86 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.22 -63.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.2 -41.95 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.38 -53.01 50.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -49.02 -37.69 21.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -72.46 -48.99 36.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 23' ' ' LEU . 30.6 mt -46.67 -52.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.4 m-85 -53.95 -40.3 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.56 -49.29 5.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -85.19 -55.59 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.76 -59.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.58 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.1 -25.23 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -92.29 -57.89 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' C ' ' N ' ' A' ' 36' ' ' GLU . 31.9 mm-40 -75.63 -74.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' HA ' HD12 ' A' ' 38' ' ' LEU . 1.3 t80 -44.96 -19.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 7.9 pt-20 -34.2 -48.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -157.94 48.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.831 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -59.49 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.7 t -163.07 -176.23 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' N ' ' OG ' ' A' ' 39' ' ' SER . 15.7 t0 -52.3 -61.23 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -38.91 -56.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.711 ' HB3' HD22 ' A' ' 38' ' ' LEU . 24.1 mm-40 -64.3 -43.76 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 39' ' ' SER . 0.5 OUTLIER -46.76 -45.38 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -59.49 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 46.7 mm-40 -61.18 -58.45 8.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.831 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -45.91 -54.63 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.5 t -62.77 -20.63 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -84.59 -41.57 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.6 -48.58 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 12' ' ' ILE . 56.8 mt -49.76 -24.04 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.1 -34.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -83.52 154.34 23.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 169.35 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.645 ' O ' HD23 ' A' ' 23' ' ' LEU . 5.1 m-20 -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.664 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -54.08 -56.37 18.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 13.5 mm-40 -63.56 -41.08 98.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 23' ' ' LEU . 54.8 tp -52.52 -61.18 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.004 HD22 HD23 ' A' ' 20' ' ' LEU . 3.5 tp -47.37 -62.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.79 -45.75 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -54.99 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.9 mt -48.69 -47.26 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -58.45 -36.08 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.4 21.36 5.53 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.99 -86.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 176.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.64 168.61 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.457 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.2 t -121.76 120.9 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -91.19 33.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 80.8 mttt -151.71 120.39 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.51 -3.65 78.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -86.49 -7.37 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HG13 ' A' ' 49' ' ' ILE . 4.4 mt -105.0 -33.63 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -42.05 -49.92 11.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.575 ' O ' HD12 ' A' ' 79' ' ' ILE . 83.9 mmm -53.55 -21.43 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.3 mt -75.34 -41.08 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.39 -51.48 68.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -63.24 -58.61 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.6 HG23 ' CE1' ' A' ' 30' ' ' PHE . 65.5 mt -52.22 -50.82 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -46.23 -48.01 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -57.78 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -49.86 -47.23 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.9 mp -54.37 -50.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.36 -50.86 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -46.23 79.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -52.68 -43.73 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.5 tptt -55.38 -47.58 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -39.78 -54.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -74.58 -48.02 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -51.12 -22.52 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.4 mm-40 -85.08 -48.93 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p -56.26 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 175.31 161.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CA ' ' HB2' ' A' ' 24' ' ' ASP . 25.5 ptt180 -96.14 20.09 10.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -36.94 -67.5 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 54' ' ' ASP . 4.2 mm? -90.91 130.44 36.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' LEU . 49.7 tp -39.64 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -38.89 -48.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.92 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -52.47 -55.88 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CA ' ' A' ' 18' ' ' ARG . 24.2 t0 -47.51 -39.87 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 6.4 mt -74.29 -46.28 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 23' ' ' LEU . 51.9 mt -44.39 -61.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 23' ' ' LEU . 28.4 m-85 -50.29 -21.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -60.06 -60.25 8.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -85.58 -47.06 10.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 79' ' ' ILE . 12.1 t80 -38.74 -66.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.31 -46.56 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.56 -29.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -94.87 -45.21 7.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.02 -74.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CB ' ' CG ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -42.32 -25.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -34.98 -57.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.88 50.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 34' ' ' GLU . 36.5 mt -48.2 140.24 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -74.2 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.09 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -65.08 -42.86 93.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 47.9 mt-10 -62.26 -42.7 99.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 12' ' ' ILE . 11.8 mt -48.29 -55.26 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.5 -53.13 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 5.7 mm-40 -53.78 -57.8 9.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.61 -42.78 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -36.87 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.9 mt-10 -72.47 -39.92 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.57 -49.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 49' ' ' ILE . 47.4 mt -50.99 -23.46 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.8 mm-40 -37.72 -34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 60' ' ' LEU . 3.3 m-85 -81.66 149.06 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -85.06 -178.74 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.664 ' HB2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.06 -62.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -44.9 -59.9 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 36.7 mt-10 -56.55 -55.02 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 23' ' ' LEU . 46.6 tp -47.19 -59.43 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.92 HD13 HD22 ' A' ' 23' ' ' LEU . 5.8 tp -46.51 -59.46 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.932 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.66 -48.26 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 52' ' ' PHE . 3.8 mt -50.85 -44.41 59.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.13 -54.9 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.65 -32.4 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.79 27.46 3.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.932 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.31 -85.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.608 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.16 167.78 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -127.67 172.7 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.998 ' OG1' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.39 122.57 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 23.06 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -136.83 117.56 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.02 -6.42 56.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.15 -4.3 46.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.998 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.5 mt -105.56 -33.89 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.525 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -37.1 -50.83 2.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.799 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -48.85 -22.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 8.1 mt -75.46 -40.42 57.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 3.6 mm-40 -60.95 -50.65 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.444 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.31 -48.98 68.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.812 HG23 ' CE1' ' A' ' 30' ' ' PHE . 59.7 mt -61.71 -67.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -43.68 -25.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.86 -71.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -40.45 -46.36 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.0 -53.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.23 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.65 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.46 -51.3 70.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -50.22 -35.91 28.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -50.84 -49.18 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 8.3 mtp180 -74.92 -40.93 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.14 -18.68 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -85.12 -55.56 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' ILE . 47.4 p -44.48 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER 68.49 113.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.77 68.32 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -65.78 -8.9 43.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.818 ' CD2' HD22 ' A' ' 58' ' ' LEU . 3.9 mp -129.31 162.7 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.56 -66.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -50.04 -38.6 38.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.74 -58.02 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.708 ' OD1' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.17 -35.29 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.708 HD23 ' OD1' ' A' ' 24' ' ' ASP . 6.8 mt -75.34 -43.68 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.4 mt -52.85 -62.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 18.6 m-85 -57.31 -40.65 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.21 -55.23 4.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -85.08 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 3.7 t80 -39.81 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' PHE . 14.1 mtp -85.36 -57.9 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -24.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HE2' ' CB ' ' A' ' 82' ' ' ALA . 1.8 ttpt -93.68 -45.12 7.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.875 ' HB3' HD21 ' A' ' 38' ' ' LEU . 71.1 mm-40 -91.99 -70.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 31' ' ' MET . 38.5 t80 -38.47 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.7 tt0 -35.3 -53.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.68 49.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 34' ' ' GLU . 30.0 mt -46.48 128.62 10.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.73 163.51 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.6 t70 -60.22 -53.74 54.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -64.97 -39.71 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.67 -39.98 95.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 40' ' ' ASP . 14.3 mt -50.89 -27.01 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -64.03 -51.62 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 78' ' ' LYS . 49.8 mt-10 -54.17 -52.89 59.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -52.35 -61.53 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' LEU . 14.1 t -47.23 -65.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 72' ' ' LEU . 3.4 tp10 -39.32 -50.94 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -67.09 -40.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 HG22 ' A' ' 16' ' ' THR . 25.5 mt -55.14 -28.58 53.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -36.76 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 60' ' ' LEU . 5.0 m-85 -84.32 149.28 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.2 -178.79 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -54.64 -62.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.5 -58.24 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 6.6 mm-40 -52.72 -51.72 59.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -56.61 -59.74 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.818 HD22 ' CD2' ' A' ' 20' ' ' LEU . 3.6 tp -47.49 -63.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' HIS . . . -48.99 -47.83 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -52.52 -62.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -50.2 -47.29 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -59.26 -23.1 62.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 98.99 27.64 8.18 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.57 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -93.81 -82.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.725 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -63.08 158.89 18.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.59 174.58 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -128.23 124.9 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -87.42 35.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -142.66 117.7 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.31 5.36 55.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -82.36 -26.38 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.609 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.705 HD21 ' CG ' ' A' ' 48' ' ' GLU . 5.3 mt -94.3 -27.58 16.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.75 -50.09 3.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.06 -32.35 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.696 ' SD ' HD23 ' A' ' 72' ' ' LEU . 52.6 mtt -69.66 -52.27 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.8 mt -43.71 -31.09 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.81 -42.21 74.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -65.44 -30.65 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.816 HG13 HD13 ' A' ' 49' ' ' ILE . 10.9 mm -60.47 -61.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -40.92 -44.5 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.72 -59.76 2.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 17.6 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -40.66 -39.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mt -57.6 -52.96 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.09 -41.13 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -54.76 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 -39.58 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -45.42 72.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -45.32 -51.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 mtp180 -75.5 -43.3 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.17 -24.19 39.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -85.11 -46.11 11.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.599 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 17.5 p -60.55 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' THR . 5.4 mtp180 52.08 173.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 61.22 137.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 108.21 -57.45 0.43 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.042 HD23 HD22 ' A' ' 58' ' ' LEU . 2.3 mp -141.86 130.84 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.49 -70.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -42.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.13 -57.04 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -39.0 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.99 -50.75 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 42.1 mt -40.82 -56.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 23.2 m-85 -49.42 -44.13 45.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -42.71 -43.81 5.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -89.13 -46.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -54.11 -30.59 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.5 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -82.49 -38.09 24.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.54 -28.01 29.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -51.41 4.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.648 ' HB3' HD21 ' A' ' 38' ' ' LEU . 14.5 mm-40 -76.13 -78.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 12' ' ' ILE . 16.0 t80 -40.36 -26.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLU . 11.4 tt0 -36.2 -63.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -144.81 57.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.544 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 68.2 mt -59.52 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -161.79 160.18 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.1 t70 -37.37 -59.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.43 75.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.3 tt0 -60.65 -30.43 69.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' SER . 15.7 mt -69.4 -45.89 68.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 p -49.74 -59.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' A' ' 75' ' ' MET . 10.7 pt-20 -54.5 -48.33 72.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -59.53 -59.02 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 t -59.92 -19.37 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.1 mt-10 -85.7 -44.64 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.771 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.16 -44.64 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 46' ' ' PHE . 6.9 mt -55.84 -19.05 10.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -37.76 -38.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -84.64 155.59 21.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.23 173.63 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 23' ' ' LEU . 30.0 m-20 -60.42 -56.71 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.681 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.31 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.32 -39.31 93.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 23' ' ' LEU . 45.5 tp -54.04 -61.53 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.042 HD22 HD23 ' A' ' 20' ' ' LEU . 2.9 tp -47.51 -59.86 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.31 -45.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 mt -52.99 -44.16 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -61.47 -57.32 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.93 -24.47 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.77 29.78 6.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.718 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.87 -84.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 t -65.74 175.07 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -116.96 165.35 13.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -122.63 123.03 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.45 36.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 tptt -149.66 119.59 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.82 -10.76 86.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 3.33 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.771 HD22 HG13 ' A' ' 49' ' ' ILE . 18.6 mt -113.91 -39.17 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.52 -51.39 3.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.0 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.705 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.9 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -75.34 -45.9 36.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.08 -47.56 65.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -61.53 -60.96 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 49' ' ' ILE . 33.4 mt -51.69 -58.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.02 -38.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -59.16 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -44.88 -31.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.38 -58.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.24 -38.89 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.19 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -53.74 -59.09 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.68 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -39.15 -45.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 15' ' ' GLN . 6.0 mtp180 -75.72 -59.64 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -27.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 13' ' ' ARG . 1.8 mm-40 -82.0 -57.79 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 13.6 p -45.3 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -36.08 123.81 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -150.9 -153.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.69 -39.51 98.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.771 HD12 HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -67.38 110.49 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASP . 15.8 tp -65.48 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -47.74 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.89 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.8 tp -52.02 -35.15 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 t70 -64.25 -27.02 68.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.72 -58.87 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 mt -40.74 -62.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 30.4 m-85 -40.05 -48.0 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.96 -49.68 6.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.2 -56.0 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.818 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.47 -51.39 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -66.1 -59.56 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.51 -24.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -94.12 -43.81 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -92.64 -72.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' MET . 24.6 t80 -38.31 -32.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -46.23 75.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t-80 -83.93 -33.76 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 42' ' ' GLU . 92.5 mt -51.12 -178.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -163.71 -174.71 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.487 ' N ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -47.73 -46.71 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.27 -67.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.765 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.6 mm-40 -54.39 -43.0 71.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -42.42 -43.89 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -57.05 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 29.7 mm-40 -61.15 -50.72 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -40.32 -52.99 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -58.92 -40.3 84.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.921 ' HB3' HD21 ' A' ' 72' ' ' LEU . 13.7 mt-10 -60.56 -44.58 96.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.848 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -74.65 -54.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 ' CD1' ' A' ' 12' ' ' ILE . 30.4 mt -43.61 -35.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.9 mt-10 -35.99 -39.81 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.6 m-85 -64.29 145.71 55.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' NE2' ' HG3' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -71.91 174.13 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.713 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.8 m-20 -70.42 -47.63 59.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.03 -60.54 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 53' ' ' GLN . 16.9 mm-40 -59.6 -50.92 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 23' ' ' LEU . 55.5 tp -43.58 -61.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD22 HD12 ' A' ' 20' ' ' LEU . 6.3 tp -45.63 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.68 -46.92 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.3 mt -53.33 -52.42 59.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 61' ' ' ILE . 5.2 mm -48.01 -58.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.38 -34.29 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.36 26.01 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.701 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -84.23 -85.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.615 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.2 m -56.06 167.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -125.86 173.73 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 76' ' ' LEU . 1.9 t -128.55 122.41 30.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.66 38.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.834 ' HB2' HD12 ' A' ' 72' ' ' LEU . 17.4 mttt -138.14 117.89 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -13.03 74.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -18.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 48' ' ' GLU . 18.3 mt -98.12 -34.99 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -38.45 -49.92 3.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.5 Cg_endo -74.97 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 79' ' ' ILE . 96.3 mmm -48.85 -24.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' A' ' 49' ' ' ILE . 9.2 mt -75.71 -36.06 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' PRO . 3.2 mm-40 -61.42 -51.76 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 1.2 ptpm? -64.06 -54.11 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.818 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 36.0 mt -56.54 -61.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.6 ttt180 -47.43 -32.22 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -49.7 -61.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 34' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.77 -38.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.93 -55.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.89 -43.77 4.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -65.49 -42.37 92.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ILE . 9.9 tptm -50.14 -53.77 25.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -39.63 -51.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 mtt180 -75.53 -50.42 15.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.09 -30.51 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -78.92 -47.97 15.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.722 HG22 HD22 ' A' ' 50' ' ' LEU . 31.5 p -60.45 -161.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER 54.98 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 8.0 ttt85 70.36 120.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 123.75 -61.49 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -136.6 143.6 43.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.8 tp -64.17 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -43.21 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.937 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -51.13 -54.82 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.54 -37.42 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ILE . 6.9 mt -75.63 -51.25 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 23' ' ' LEU . 55.4 mt -38.36 -62.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -41.35 -55.0 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.03 -46.7 5.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -85.13 -62.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -42.27 -45.71 4.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -65.32 -37.24 86.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 31' ' ' MET . 0.6 OUTLIER -65.78 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -99.25 -3.24 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.635 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -126.65 -77.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' MET . 10.7 t80 -48.17 -32.18 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.14 -9.15 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -127.03 -41.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 34' ' ' GLU . 32.0 mt -43.7 114.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -75.77 174.59 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.2 t0 -44.28 -62.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -46.48 -57.66 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.7 mt-10 -53.44 -50.1 65.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 40' ' ' ASP . 18.5 mt -44.71 -30.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 t -60.5 -44.28 96.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 6.9 mm-40 -63.41 -59.59 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -40.97 -48.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -39.71 23.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.1 tp10 -63.74 -68.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.74 -43.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 HD13 ' A' ' 12' ' ' ILE . 56.2 mt -51.45 -36.01 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 2.1 mm-40 -37.65 -34.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -78.78 148.74 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 174.51 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 9.3 m-20 -59.45 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -56.58 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.7 -50.5 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 23' ' ' LEU . 58.1 tp -48.23 -61.06 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 23' ' ' LEU . 6.7 tp -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.853 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.29 -47.84 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 65' ' ' SER . 3.8 mt -45.17 -61.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.763 HG23 ' HG3' ' A' ' 80' ' ' ARG . 58.8 mt -49.47 -44.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.27 -34.85 77.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.68 14.72 8.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.853 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -69.06 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.08 174.53 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -123.58 168.35 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.844 ' OG1' HD12 ' A' ' 72' ' ' LEU . 4.2 t -109.69 120.86 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -90.26 36.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -161.97 129.44 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.89 -6.59 88.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -79.53 -3.67 47.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.844 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.8 mt -111.14 -25.52 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -43.19 -48.04 15.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.99 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.573 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.3 mpp? -53.21 -34.97 59.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.1 mt -64.28 -41.26 96.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -57.25 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CE ' ' SD ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -64.63 -53.01 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.708 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 54.3 mt -53.41 -66.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.763 ' HG3' HG23 ' A' ' 61' ' ' ILE . 3.5 ttm180 -41.01 -37.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.9 -62.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ALA . 27.8 m-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -49.71 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -47.25 -49.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -51.37 -49.95 60.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.78 -41.1 56.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -42.19 70.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.8 tttp -55.12 -46.8 75.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -39.89 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -74.87 -44.07 50.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -55.77 -22.14 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.37 -48.97 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 27' ' ' PHE . 1.2 p -52.54 -59.29 4.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -37.01 135.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER 81.98 155.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.726 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 114.26 -62.37 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.768 HD23 ' CA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -152.58 139.91 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 0.728 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' ASP . 30.9 tp -54.87 -72.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.96 -49.44 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -49.04 -45.7 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 6.3 t0 -55.29 -34.54 64.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.01 -50.66 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 23' ' ' LEU . 6.6 mt -50.06 -57.98 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.6 m-85 -45.55 -45.88 13.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.39 -47.3 5.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -85.21 -57.83 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.824 ' CE1' HG23 ' A' ' 79' ' ' ILE . 6.6 t80 -38.38 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -85.42 -47.05 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.37 -28.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.15 -55.01 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 38' ' ' LEU . 12.3 mm-40 -74.64 -77.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 10.9 t80 -40.41 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 4.3 tm-20 -34.5 -53.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -155.18 53.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.655 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 34' ' ' GLU . 53.9 mt -57.79 129.74 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -75.4 171.83 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' HA ' HD12 ' A' ' 43' ' ' LEU . 9.9 t70 -55.72 -51.72 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -64.13 -44.35 92.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 1.2 mm-40 -59.26 -28.32 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 HD21 ' HD2' ' A' ' 9' ' ' LYS . 13.2 mt -75.54 -17.2 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -75.27 -60.51 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 2.6 pm0 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -55.95 -56.86 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -60.55 -19.68 58.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.789 ' HB3' HD21 ' A' ' 72' ' ' LEU . 3.3 mt-10 -85.39 -47.14 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.887 HD13 HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -73.88 -42.43 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 46' ' ' PHE . 87.6 mt -54.22 -27.22 33.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.36 -34.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.2 153.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.07 163.79 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 5.8 m-20 -52.2 -58.67 5.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.768 ' CA ' HD23 ' A' ' 20' ' ' LEU . 1.4 tm0? -42.4 -58.59 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 23' ' ' LEU . 66.3 tp -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -44.83 -59.69 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.67 -47.76 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 2.4 mt -52.32 -44.73 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.32 -55.97 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -58.53 -32.92 69.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.48 3.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.918 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -81.89 -85.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.591 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.18 167.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -123.37 167.92 13.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 t -126.52 121.12 31.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.19 34.21 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 72' ' ' LEU . 62.2 mmtt -142.1 115.98 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.98 60.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 75' ' ' MET . 28.3 m-70 -89.3 -3.37 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.841 HD22 HG13 ' A' ' 49' ' ' ILE . 28.7 mt -109.94 -38.3 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -42.85 -49.14 13.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.06 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 30.4 mmt -57.27 -24.21 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.566 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.2 mt -75.91 -29.06 58.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 80' ' ' ARG . 4.1 mm-40 -65.96 -50.17 65.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -62.97 -34.76 78.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.887 HD12 HD13 ' A' ' 49' ' ' ILE . 64.8 mt -70.67 -50.36 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.436 ' CD ' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -56.7 -22.2 33.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -56.08 -66.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.45 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 5' ' ' ASP . 2.7 mp -74.48 -57.15 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -61.1 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -63.82 -47.42 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.4 tttm -43.14 -50.81 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -56.48 -50.1 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -58.62 -54.7 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.96 -41.21 97.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.924 HG22 HD22 ' A' ' 50' ' ' LEU . 71.5 p -55.96 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.4 mmt180 -163.72 144.03 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CB ' ' CG ' ' A' ' 24' ' ' ASP . 43.0 ptt85 -91.06 15.03 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -34.45 -38.86 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.067 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' LEU . 2.1 mm? -125.33 124.33 41.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LEU . 11.6 tp -35.27 -79.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ILE . 2.4 tp10 -37.82 -54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.4 tp -51.91 -49.12 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 55.6 t0 -55.0 -42.36 72.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 4.2 mt -74.07 -43.72 56.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.8 mt -38.24 -64.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CE2' ' HB ' ' A' ' 16' ' ' THR . 49.0 m-85 -45.03 -38.77 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -43.0 -59.86 3.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.0 mtt85 -87.66 -49.08 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -37.55 -68.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.629 ' O ' ' N ' ' A' ' 35' ' ' PHE . 1.1 ttp -49.82 -53.64 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.1 -28.09 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -98.64 5.72 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' HIS . 3.7 mm-40 -135.29 -72.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.651 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.9 -37.52 9.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -64.05 -13.61 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' GLU . 73.6 t60 -120.19 -7.84 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.887 HD11 ' CE1' ' A' ' 46' ' ' PHE . 59.0 mt -66.18 -169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.2 m -163.05 164.07 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' SER . 65.7 t0 -37.81 -37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -62.48 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.724 ' CB ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm-40 -53.27 -38.64 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 39' ' ' SER . 3.9 mt -41.8 -40.74 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -64.12 -52.93 56.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.4 mm-40 -57.73 -57.29 13.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.887 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -43.26 -61.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -55.77 -19.22 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.976 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -85.45 -43.38 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -76.7 -40.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.924 HD22 HG22 ' A' ' 16' ' ' THR . 11.1 mt -60.35 -32.7 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -38.06 -40.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-85 -66.79 154.2 41.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -77.46 174.6 10.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.656 ' CB ' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -66.28 -61.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -42.52 -54.97 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.32 -44.99 93.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -53.97 -55.14 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 23' ' ' LEU . 3.3 tp -52.7 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.991 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -46.46 -44.17 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -49.07 -63.18 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -50.96 -42.19 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -64.53 -31.29 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 111.21 17.9 8.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.991 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.26 -83.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.593 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 174.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.51 165.17 17.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.0 t -122.44 123.07 40.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.8 t0 -89.06 36.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 24.2 mttt -157.07 122.44 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.23 -11.28 81.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.64 -5.47 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 HG13 ' A' ' 49' ' ' ILE . 2.5 mt -103.23 -26.08 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -40.99 -49.93 7.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -74.99 -35.43 3.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.681 ' O ' HD12 ' A' ' 79' ' ' ILE . 18.6 mmt -69.86 -24.33 63.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.9 mt -74.97 -27.3 60.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.0 -55.81 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 1.1 ptmt -58.01 -41.17 82.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 75' ' ' MET . 46.7 mt -71.83 -41.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 44.2 ttt-85 -64.03 -22.17 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' ALA . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -33.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 9' ' ' LYS . 2.6 mp -60.57 -49.2 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -42.3 -28.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -66.35 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -61.6 -21.37 64.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 14.1 tttt -70.1 -44.53 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -46.1 -49.87 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -75.3 -54.26 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -45.84 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -83.6 -52.78 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.607 HG22 ' CE1' ' A' ' 27' ' ' PHE . 6.7 p -52.57 133.62 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 18.0 ttt180 -135.35 156.02 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -88.5 19.04 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.589 ' C ' HD22 ' A' ' 20' ' ' LEU . . . -37.16 -31.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.589 HD22 ' C ' ' A' ' 19' ' ' GLY . 3.6 mm? -131.39 137.56 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -42.86 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -56.0 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -45.14 -52.11 9.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 65.5 t0 -52.22 -45.88 65.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.9 mt -67.01 -46.86 73.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' A' ' 23' ' ' LEU . 58.3 mt -45.06 -61.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 16' ' ' THR . 16.3 m-85 -53.32 -16.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -62.4 -61.45 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -86.09 -46.67 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.988 ' CE1' HG23 ' A' ' 79' ' ' ILE . 33.7 t80 -38.07 -34.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -78.39 -45.57 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.93 -23.54 66.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -14.76 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD21 ' A' ' 38' ' ' LEU . 3.0 mm-40 -122.31 -76.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' MET . 4.0 t80 -43.25 -25.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -44.64 -50.65 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . 2.7 t-80 -155.32 58.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.889 HD21 ' HB3' ' A' ' 34' ' ' GLU . 51.6 mt -59.09 141.48 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.85 171.83 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -57.38 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -60.45 -45.03 95.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -43.0 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.3 mt -54.84 -28.43 49.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -59.37 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 1.2 mp0 -57.78 -51.32 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -46.86 -50.77 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -62.83 -19.75 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.939 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.35 -46.85 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.887 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -69.19 -44.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 12' ' ' ILE . 68.3 mt -50.4 -33.14 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -38.62 -34.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -80.83 151.28 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.2 174.97 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.494 ' CB ' HD23 ' A' ' 20' ' ' LEU . 4.4 m-20 -50.64 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -46.44 -60.58 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 3.5 mt-10 -51.55 -48.06 63.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.942 HD23 HD11 ' A' ' 23' ' ' LEU . 54.9 tp -57.72 -58.79 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 23' ' ' LEU . 5.0 tp -52.87 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.08 -43.45 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.6 mt -50.62 -63.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -50.48 -47.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -56.5 -34.68 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.81 19.58 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.866 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -79.24 -84.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.609 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.6 m -64.54 164.37 11.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -117.43 166.8 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' THR . 0.8 OUTLIER -128.91 120.26 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.91 35.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.1 mmpt? -136.13 117.49 14.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.01 -14.58 70.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -83.3 3.17 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 48' ' ' GLU . 45.8 mt -114.85 -39.09 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.534 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.27 -50.22 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.709 ' HG3' HD11 ' A' ' 79' ' ' ILE . 2.0 tpp -53.87 -31.7 50.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.786 ' HG ' HD11 ' A' ' 49' ' ' ILE . 4.9 mt -65.97 -45.67 80.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.087 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -56.33 -58.35 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.477 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.6 -62.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.988 HG23 ' CE1' ' A' ' 30' ' ' PHE . 63.0 mt -46.63 -45.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.95 -34.33 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -58.42 -69.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.8 -32.59 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.41 -43.04 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -57.47 12.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -60.5 -35.03 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.59 -27.06 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -75.3 -35.58 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -42.5 -52.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' HE2' ' A' ' 31' ' ' MET . 0.0 OUTLIER -75.62 -38.09 59.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -20.7 66.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.39 -37.71 19.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.516 HG21 ' HE3' ' A' ' 31' ' ' MET . 1.3 p -65.11 -168.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 64.18 122.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.18 -153.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.92 52.04 2.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.662 HD13 HD22 ' A' ' 58' ' ' LEU . 3.3 mt -146.7 112.34 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLU . 60.7 tp -65.3 -73.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -38.54 -49.76 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.981 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.4 tp -57.34 -51.75 68.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.13 -36.35 40.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.692 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -70.22 -49.15 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.981 HD12 ' HA ' ' A' ' 23' ' ' LEU . 25.9 mt -47.02 -61.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 31' ' ' MET . 19.4 m-85 -44.19 -40.63 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.88 -59.43 3.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.7 mmt180 -84.41 -48.12 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CE2' HG23 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -42.73 -27.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.583 ' HE2' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.64 -40.22 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tt0 -63.78 -21.47 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -25.59 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.774 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.4 mp0 -117.46 -77.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 12' ' ' ILE . 13.4 t80 -41.74 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' MET . 6.4 tt0 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.4 t-160 -155.01 55.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 34' ' ' GLU . 29.4 mt -57.15 -162.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -160.37 150.74 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -41.9 -63.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -57.76 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' SER . 13.6 mt-10 -81.88 -14.95 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.8 mt -75.97 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 32.8 t -41.42 -60.26 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -50.05 -48.43 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -62.72 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 33.0 t -66.96 -22.83 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB3' HD21 ' A' ' 72' ' ' LEU . 1.4 tp10 -83.14 -43.91 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.738 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.17 -38.54 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.8 mt -64.03 -37.25 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -39.78 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -71.81 156.72 39.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 160.02 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.941 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -53.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.87 -57.04 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.01 -49.09 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 23' ' ' LEU . 8.5 tp -54.6 -55.98 23.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.842 ' CD1' HD13 ' A' ' 23' ' ' LEU . 3.3 tp -52.37 -63.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.809 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.7 -43.46 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.1 mt -50.68 -60.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.56 -47.64 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.54 -26.73 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 106.25 19.24 10.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.809 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.19 -85.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.608 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.28 166.65 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.25 171.37 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 t -132.93 122.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.11 34.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 19.8 mttm -147.52 116.91 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.52 89.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -10.88 59.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.738 HD22 HG13 ' A' ' 49' ' ' ILE . 2.2 mt -97.09 -24.09 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.21 -49.71 8.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -36.39 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 79' ' ' ILE . 27.9 mmt -69.54 -22.35 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -74.93 -35.94 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -57.98 6.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -53.57 -56.85 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.745 HG23 ' CE2' ' A' ' 30' ' ' PHE . 52.8 mt -55.55 -45.54 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -52.61 -44.3 65.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -59.55 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' ASP . 24.3 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' ASP . 46.3 m-20 -39.74 -47.77 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -55.27 -57.79 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.54 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -61.17 -61.19 2.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -29.37 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -59.22 -52.72 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.736 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -44.33 -52.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 ttm180 -70.56 -55.75 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -47.3 -39.79 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -58.74 -49.49 77.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' ILE . 31.2 p -65.99 168.97 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -163.5 25.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.3 ptm180 37.79 30.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . -37.3 -42.01 0.81 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.79 150.72 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.24 -66.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.77 -40.02 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.904 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -58.82 -53.23 60.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -36.78 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.74 -53.5 50.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 23' ' ' LEU . 5.1 mt -50.33 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' A' ' 23' ' ' LEU . 14.5 m-85 -48.29 -21.47 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.93 -52.46 3.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -86.21 -70.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -36.42 -45.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.618 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -64.52 -50.9 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.84 -29.05 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.28 -27.66 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -86.7 -70.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.672 ' HA ' HD12 ' A' ' 38' ' ' LEU . 34.6 t80 -46.79 -41.98 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -10.3 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -122.55 -8.84 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 35' ' ' PHE . 38.1 mt -60.27 -171.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.2 m -164.2 169.07 18.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -48.32 -57.82 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -64.9 -34.97 79.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HB2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -65.09 -46.6 80.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.8 mt -40.22 -38.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -59.17 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' GLU . 21.6 mt-10 -49.71 -61.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -44.42 -43.9 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -29.56 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -79.8 -37.37 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -75.26 -49.0 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 49' ' ' ILE . 48.1 mt -49.96 -26.36 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.8 mm-40 -36.97 -34.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.7 m-85 -83.35 149.92 26.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.6 173.74 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -59.79 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.05 -44.52 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 23' ' ' LEU . 22.1 tp -51.5 -61.13 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 23' ' ' LEU . 4.5 tp -46.27 -61.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.31 -45.43 34.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.859 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mt -53.54 -44.13 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.53 -56.42 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.41 -25.59 50.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.32 30.46 5.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.771 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -81.47 -86.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 0.0 109.623 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -62.44 174.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -119.1 168.42 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.9 t -126.77 120.88 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.06 29.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.99 120.68 17.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -72.96 -1.31 55.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.433 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.5 m80 -88.48 -11.12 46.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.574 HD12 ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -109.28 -38.1 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.85 -49.53 10.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -64.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.864 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.09 -23.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 20.5 mt -71.35 -42.76 68.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -59.68 -58.77 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -53.46 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 75' ' ' MET . 20.7 mt -49.9 -50.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 61.5 ttt180 -54.26 -35.68 62.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -61.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -43.25 -48.11 6.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -50.45 -50.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.22 -49.67 68.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.81 -58.95 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -47.72 -39.48 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' GLN . 8.3 tttt -52.6 -53.48 46.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -40.43 -50.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.4 ttt180 -74.92 -55.31 5.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -48.73 -22.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 6.7 mm-40 -80.68 -56.51 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 12' ' ' ILE . 69.8 p -44.87 -67.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.414 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 2.3 mtp180 61.57 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -74.27 56.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -68.09 -26.3 74.11 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 19' ' ' GLY . 1.5 mp -136.02 131.68 35.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . 56.7 tp -37.86 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -37.61 -52.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.06 -57.07 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 16.2 t0 -46.73 -42.54 16.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.1 mt -70.08 -53.72 16.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 23' ' ' LEU . 19.6 mt -43.48 -62.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.913 ' CE2' HD12 ' A' ' 23' ' ' LEU . 36.5 m-85 -46.41 -24.15 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.62 -56.57 22.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -83.99 -29.67 26.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.9 -41.45 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.506 ' CA ' ' HB3' ' A' ' 35' ' ' PHE . 25.9 mtm -68.51 -56.0 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 36' ' ' GLU . 3.7 tt0 -46.36 -24.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -58.78 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -75.21 -75.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -41.8 -23.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.2 tp10 -33.32 -71.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.99 57.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 46' ' ' PHE . 97.3 mt -56.42 134.94 54.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 169.53 15.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -66.83 -53.08 36.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -64.62 -39.51 93.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 mt -55.93 -45.58 78.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 t -49.98 -45.44 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 23.2 mm-40 -58.31 -60.88 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CD2' HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -45.21 -44.59 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -32.03 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.783 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.8 mm-40 -77.43 -39.26 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.21 -51.53 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' N ' HG22 ' A' ' 49' ' ' ILE . 7.1 mt -46.89 -25.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.9 mm-40 -37.25 -38.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.706 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -84.33 150.94 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.76 177.07 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -50.38 -55.98 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -46.08 -60.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.3 mm-40 -59.02 -51.13 71.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -48.76 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 23' ' ' LEU . 5.7 tp -47.65 -60.18 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.65 -48.4 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 65' ' ' SER . 4.0 mt -50.2 -63.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.6 mt -50.12 -48.02 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.4 -36.17 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.65 25.16 3.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.859 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -85.8 -77.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.707 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.16 160.52 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.58 169.93 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.735 ' OG1' HD12 ' A' ' 72' ' ' LEU . 12.0 t -115.13 123.56 49.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.6 36.44 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.77 126.6 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.72 -6.96 87.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 75' ' ' MET . 39.0 m-70 -82.62 -2.92 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 49' ' ' ILE . 13.1 mt -104.45 -33.52 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.1 mt -41.65 -49.04 10.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -38.35 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.82 ' O ' HD12 ' A' ' 79' ' ' ILE . 15.4 mmt -68.21 -20.78 64.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 80' ' ' ARG . 7.7 mt -76.51 -47.3 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -52.68 -49.06 66.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -66.25 -58.83 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 75' ' ' MET . 25.5 mt -56.62 -68.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -38.04 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.02 -60.57 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -43.34 -39.92 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.06 -46.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -60.17 -36.7 78.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -57.53 -59.77 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -44.59 -40.31 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.5 -48.82 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -41.37 -52.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.3 mtt180 -76.01 -51.58 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -46.18 -25.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.46 -45.04 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 12' ' ' ILE . 76.8 p -70.08 -174.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 2.3 mtt-85 58.54 154.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 2.9 ttt-85 79.94 82.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 165.1 -51.3 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.1 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -144.31 146.94 32.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.28 -71.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -39.79 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.47 -55.91 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -46.4 -36.8 6.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.69 -55.26 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.6 mt -40.5 -61.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD12 ' A' ' 23' ' ' LEU . 43.9 m-85 -43.16 -43.4 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' GLU . . . -42.25 -58.04 3.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.4 mtm180 -86.92 -49.52 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.849 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -36.98 -46.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -77.4 -58.48 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -44.58 -25.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' MET . 1.4 mttm -96.94 -32.82 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' HIS . 63.6 mm-40 -97.59 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -38.25 -31.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.3 tm-20 -66.48 -44.6 82.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' GLU . 39.9 m170 -87.64 -22.7 24.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.849 HD11 ' CE1' ' A' ' 46' ' ' PHE . 19.5 mt -46.48 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -163.78 160.28 22.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' SER . 1.9 t70 -36.9 -60.05 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.1 -53.54 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -56.65 -49.51 74.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 43' ' ' LEU . 4.0 mt -42.84 -46.69 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -37.2 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.7 OUTLIER -74.9 -54.6 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.849 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -48.1 -41.46 26.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 t -60.93 -23.44 65.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.56 -46.15 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.836 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -71.06 -46.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 46' ' ' PHE . 77.2 mt -49.76 -31.81 12.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -37.49 -34.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.803 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -82.59 149.31 27.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.69 170.23 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.65 -58.78 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.27 -61.21 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.5 mm-40 -53.44 -50.82 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 23' ' ' LEU . 45.7 tp -51.29 -60.43 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.1 HD22 HD23 ' A' ' 20' ' ' LEU . 3.8 tp -52.54 -60.58 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.995 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.06 -44.39 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 52' ' ' PHE . 1.8 mt -49.79 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.57 HG23 ' HG3' ' A' ' 80' ' ' ARG . 66.9 mt -48.91 -45.7 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.81 -34.6 77.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 112.49 23.97 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.995 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -81.57 -83.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.3 t -59.7 175.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -121.01 161.36 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 67' ' ' THR . 4.8 t -137.53 98.03 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.94 39.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' HD12 ' A' ' 72' ' ' LEU . 9.2 mttt -131.69 109.49 10.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.79 -13.95 53.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -87.5 1.25 54.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 48' ' ' GLU . 50.0 mt -115.81 -41.17 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -38.34 -50.24 3.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mmt -48.43 -24.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.8 mt -74.0 -35.68 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -62.43 -54.8 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.97 -54.48 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 30' ' ' PHE . 40.9 mt -56.21 -43.07 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.57 ' HG3' HG23 ' A' ' 61' ' ' ILE . 1.4 tmm_? -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -52.04 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' ALA . 13.2 m-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -32.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -62.03 -52.46 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -43.93 -35.14 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -54.98 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 HH21 HG13 ' A' ' 7' ' ' ILE . 54.4 mtm180 -54.4 -46.83 73.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -48.63 -49.3 37.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -39.6 -55.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' N ' HG22 ' A' ' 12' ' ' ILE . 9.5 mtp180 -75.94 -51.64 11.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -41.87 -28.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -66.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 74.4 p -43.63 -60.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -34.14 126.86 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -159.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.03 20.87 26.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 23.1 tp -65.43 -76.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -35.27 -54.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -50.94 -55.84 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -36.3 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLY . 7.5 mt -75.93 -51.43 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 23' ' ' LEU . 22.1 mt -44.25 -54.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.993 ' CE2' HD12 ' A' ' 23' ' ' LEU . 62.2 m-85 -50.78 -28.65 9.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -56.94 -74.08 0.37 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 2.9 ptm180 -57.2 -23.0 44.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CE1' HG23 ' A' ' 79' ' ' ILE . 1.3 t80 -75.95 -46.37 30.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.511 ' CB ' ' HB3' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -71.67 -41.61 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.43 -27.17 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.76 -49.32 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.59 ' HB3' HD21 ' A' ' 38' ' ' LEU . 63.9 mm-40 -79.8 -77.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -39.88 -27.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -36.32 -65.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -141.35 56.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 34' ' ' GLU . 38.5 mt -55.73 -165.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -162.38 154.25 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.43 -56.3 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.06 68.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.4 mm-40 -85.18 -13.23 50.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' SER . 12.7 mt -76.14 -51.0 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.2 -61.39 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -49.46 -52.74 27.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -54.2 -48.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.37 -40.78 93.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -66.53 -41.14 89.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.757 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -75.13 -52.25 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.9 mt -45.98 -27.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.3 mm-40 -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -82.8 152.36 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 176.07 8.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 m-20 -62.42 -60.75 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -42.08 -51.94 4.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 11.2 mm-40 -67.85 -41.06 83.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.871 HD23 HD11 ' A' ' 23' ' ' LEU . 40.6 tp -57.61 -61.84 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.814 HD13 HD22 ' A' ' 23' ' ' LEU . 6.9 tp -43.13 -58.72 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -52.53 -49.82 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' GLY . 3.1 mt -51.55 -63.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.92 -43.6 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -66.96 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.83 25.95 4.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.549 1.156 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.794 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -84.58 -82.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.547 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 174.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.35 171.88 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.474 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.35 120.31 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.25 0.89 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 22.9 mttp -120.26 103.7 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.3 -8.03 48.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' MET . 3.6 m80 -73.76 -5.01 38.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.578 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 49' ' ' ILE . 2.9 mt -104.84 -20.78 13.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -44.51 -47.4 26.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.05 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.551 ' HE3' ' CE ' ' A' ' 78' ' ' LYS . 33.8 mmm -55.7 -22.5 23.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.9 mt -75.88 -31.74 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.45 -56.79 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.551 ' CE ' ' HE3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -55.41 -49.52 72.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.74 HG23 ' CE1' ' A' ' 30' ' ' PHE . 79.2 mt -63.47 -67.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 24.6 ttp180 -37.71 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.38 -65.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.13 -44.43 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.9 mp -55.22 -52.16 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.02 2.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -60.7 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -44.52 -44.98 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -49.46 -41.39 40.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -49.68 -52.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.516 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.58 -50.86 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.24 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.61 -25.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -84.65 -53.6 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 33.3 p -57.2 -163.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.0 150.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 71.94 -179.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 48.86 97.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER 66.01 110.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -57.85 -44.95 86.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.64 -43.48 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.978 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -58.71 -33.71 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -68.45 -39.82 81.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.2 mt -68.8 -49.52 57.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.978 HD12 ' HA ' ' A' ' 23' ' ' LEU . 39.8 mt -40.58 -52.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 18.1 m-85 -53.28 -40.9 65.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -41.96 -50.77 5.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.49 -51.66 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -42.82 -33.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.416 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 mtt -83.97 -53.8 5.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.93 -27.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HD2' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.92 -54.23 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HB3' HD21 ' A' ' 38' ' ' LEU . 23.9 mt-10 -75.76 -75.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' GLU . 1.2 t80 -40.95 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLU . 12.3 tt0 -34.22 -55.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -153.53 53.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 53.8 mt -58.61 142.68 48.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.65 167.05 22.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.7 t0 -64.29 -58.03 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -59.04 -38.71 79.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' A' ' 78' ' ' LYS . 1.1 tp10 -61.93 -44.9 95.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 40' ' ' ASP . 9.1 mt -45.88 -46.73 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -58.26 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -48.93 -57.79 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.46 -56.46 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 t -61.43 -24.96 66.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 2.1 tp10 -78.84 -43.34 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.785 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.86 -46.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 12' ' ' ILE . 76.9 mt -52.19 -31.38 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.6 mt-10 -35.21 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LEU . 10.1 m-85 -85.87 147.88 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.45 160.79 30.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.802 ' HB3' HD23 ' A' ' 23' ' ' LEU . 5.0 m-20 -51.52 -46.33 63.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.819 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.8 tm0? -45.26 -59.97 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 mm-40 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.77 -61.29 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -50.55 -60.3 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -50.28 -45.4 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -49.89 -60.59 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -53.2 -43.23 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.99 -22.04 66.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.14 31.25 6.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.816 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.95 -89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.59 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.2 m -60.58 171.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -117.85 172.38 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.759 ' OG1' HD12 ' A' ' 72' ' ' LEU . 13.6 t -120.4 120.56 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.05 -0.88 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.5 mptt -128.89 114.68 16.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 -5.06 45.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -83.19 3.75 29.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 49' ' ' ILE . 10.7 mt -108.54 -39.12 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.13 -50.46 8.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.6 -22.64 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.594 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.5 mt -75.27 -35.12 61.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -62.55 -55.59 25.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -58.17 -36.6 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 75' ' ' MET . 63.1 mt -71.32 -56.02 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -39.16 -50.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -51.52 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 8' ' ' ALA . 69.1 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -47.55 -34.65 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -74.95 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' HB3' ' N ' ' A' ' 5' ' ' ASP . . . -48.5 -34.24 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.23 -26.19 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 15' ' ' GLN . 2.4 mmtp -74.91 -40.5 60.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -42.67 -50.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.8 mtt180 -75.58 -45.45 37.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.53 -16.87 27.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.53 -58.88 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.588 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 65.4 p -44.44 -56.5 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 132.67 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.3 -152.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.06 44.32 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 54' ' ' ASP . 5.7 mp -140.66 107.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.54 -69.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -56.22 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tp -50.04 -40.61 45.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -36.32 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -75.41 -50.46 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 34.5 mt -40.36 -61.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 46.5 m-85 -43.66 -45.05 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.3 -51.35 5.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.5 mmt180 -85.59 -52.98 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -46.29 -49.4 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' PHE . 95.7 mtp -60.69 -50.91 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.22 -23.28 67.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.46 -12.21 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' HIS . 18.7 mm-40 -128.59 -75.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 38' ' ' LEU . 38.7 t80 -40.67 -34.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -38.91 90.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -92.12 -15.35 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 35' ' ' PHE . 17.4 mt -54.43 -169.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 43' ' ' LEU . 15.2 m -164.25 177.28 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -65.39 -20.75 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 3.9 mt-10 -85.07 -12.51 52.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 39' ' ' SER . 2.3 mt -71.99 -38.24 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 m -53.43 -59.31 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 7.4 pt-20 -47.7 -43.72 26.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.997 ' CE1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -60.96 -57.87 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -26.14 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -74.38 -41.12 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.633 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.63 -41.16 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.997 HD11 ' CE1' ' A' ' 46' ' ' PHE . 69.2 mt -64.37 -14.83 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . 3.4 mm-40 -36.39 -35.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.627 ' CD2' HD12 ' A' ' 60' ' ' LEU . 10.8 m-85 -78.81 145.81 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 1.6 mp0 -65.99 175.19 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.813 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.1 m-20 -64.25 -48.66 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.91 67.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.69 -52.2 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD23 HD21 ' A' ' 23' ' ' LEU . 14.9 tp -45.19 -61.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.646 ' CD1' HD13 ' A' ' 23' ' ' LEU . 5.8 tp -42.78 -57.21 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.937 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.6 -49.47 46.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -49.32 -63.65 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -47.71 -44.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.92 -29.89 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 109.66 29.06 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.937 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -90.85 -85.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.621 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -54.89 165.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 162.82 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 67' ' ' THR . 3.6 t -137.8 98.31 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.59 36.71 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.504 ' HB2' HD12 ' A' ' 72' ' ' LEU . 33.3 mmtt -128.18 105.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -60.89 -13.11 31.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.427 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.57 1.81 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.566 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 HG13 ' A' ' 49' ' ' ILE . 10.8 mt -123.6 -40.47 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -39.88 -50.18 5.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.63 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.37 -22.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 49' ' ' ILE . 12.0 mt -71.56 -47.72 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.458 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 2.3 mm-40 -55.35 -56.7 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -56.15 -64.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.68 HG23 ' CE1' ' A' ' 30' ' ' PHE . 62.5 mt -48.15 -51.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 2.0 ttt-85 -47.89 -48.05 31.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -57.58 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.21 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 5' ' ' ASP . 42.5 mm -72.76 -49.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.5 -34.84 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -66.31 -61.22 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -61.55 -23.56 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' GLN . 9.8 tptt -75.15 -57.27 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CD1' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -44.89 -48.06 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 ttp180 -61.58 -57.13 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -65.37 -9.5 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.35 -18.28 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.732 HG22 HD22 ' A' ' 50' ' ' LEU . 82.4 p -85.33 -44.5 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -37.92 141.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.24 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 8.1 ttt180 83.98 140.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 -63.51 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 20' ' ' LEU . 3.0 mt -151.57 137.94 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.37 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.57 -44.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.972 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.36 -54.93 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.85 -37.33 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 25' ' ' LEU . 2.8 mt -74.54 -50.78 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 23' ' ' LEU . 18.7 mt -45.0 -49.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.952 ' CE2' HD12 ' A' ' 23' ' ' LEU . 57.5 m-85 -56.92 -41.4 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -41.69 -42.84 3.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -51.43 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -47.79 -40.42 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.615 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -66.22 -40.98 90.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.2 tt0 -59.85 -24.8 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -96.55 -54.0 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 72.6 mm-40 -75.43 -77.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.31 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.1 tt0 -34.68 -67.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -142.4 56.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 42.8 mt -55.03 -167.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -161.76 157.53 24.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' SER . 6.4 t0 -39.42 -63.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.32 -48.08 9.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -55.72 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.507 HD22 ' CD1' ' A' ' 12' ' ' ILE . 6.9 mt -41.81 -51.18 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -59.7 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mp0 -68.12 -57.21 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -41.84 -47.65 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -63.37 -36.5 83.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' CB ' HD21 ' A' ' 72' ' ' LEU . 34.4 mm-40 -64.49 -43.61 93.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.8 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.57 -43.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.732 HD22 HG22 ' A' ' 16' ' ' THR . 70.6 mt -60.89 -35.59 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -38.63 -33.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.4 m-85 -78.28 152.57 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -78.81 164.96 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.537 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.9 m-20 -54.51 -57.57 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -43.27 -55.06 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.12 -40.54 94.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.777 HD23 HD11 ' A' ' 23' ' ' LEU . 47.4 tp -56.7 -61.7 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.632 HD13 HD22 ' A' ' 23' ' ' LEU . 8.1 tp -47.83 -57.04 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.877 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -51.14 -46.87 62.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.49 -60.05 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.04 -45.89 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.93 -29.95 68.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 107.57 27.86 5.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.877 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -88.42 -87.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 0.0 109.595 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.7 t -59.12 174.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.8 mp0 -121.78 171.19 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.637 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.5 t -119.86 120.73 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -90.86 20.71 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 68' ' ' ASP . 23.7 mmtt -140.15 118.18 11.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.99 -9.3 66.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -79.09 -3.22 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 49' ' ' ILE . 19.1 mt -105.17 -37.88 6.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -35.68 -51.48 1.47 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -58.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.5 -28.46 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.0 mt -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 mm-40 -58.63 -54.41 47.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.47 -50.59 64.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 75' ' ' MET . 60.5 mt -58.71 -68.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.83 -29.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -46.99 -57.0 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.522 0.201 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.8 ttm 55.48 84.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 4' ' ' PHE . 39.1 t -125.73 161.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.713 ' CE1' HD13 ' A' ' 43' ' ' LEU . 2.3 t80 173.87 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -144.89 -176.51 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -48.23 -25.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.1 mt -69.6 -54.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.94 -32.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -61.63 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -29.0 69.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ILE . 4.1 tttm -61.18 -55.5 31.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.69 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.08 -49.84 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.4 mtt180 -75.06 -57.44 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.91 -27.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.52 -47.14 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.703 HG22 HD22 ' A' ' 50' ' ' LEU . 23.6 p -62.57 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 63.87 128.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -166.49 -149.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.37 37.76 3.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 58' ' ' LEU . 7.6 mp -137.79 107.33 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' ASP . 36.3 tp -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.654 ' CD ' HD11 ' A' ' 26' ' ' ILE . 1.8 tm-20 -46.24 -48.74 17.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.955 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.1 tp -61.46 -29.49 70.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LEU . 10.0 t70 -73.01 -32.39 65.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.0 mt -74.93 -48.39 24.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 23' ' ' LEU . 14.7 mt -44.86 -62.36 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 26.7 m-85 -42.13 -42.9 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.94 -61.51 2.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -48.13 8.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 0.788 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 1.004 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.51 -59.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.66 -58.31 7.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -47.26 -24.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -46.3 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.58 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -85.22 -69.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' MET . 83.0 t80 -39.61 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.62 82.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' GLU . 23.8 m80 -86.01 -40.88 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD11 ' HB3' ' A' ' 34' ' ' GLU . 79.9 mt -44.65 111.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -76.03 169.35 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.979 ' HA ' HD12 ' A' ' 43' ' ' LEU . 5.1 m-20 -42.9 -54.45 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -54.83 -55.88 25.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -53.21 -43.63 67.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 40' ' ' ASP . 12.5 mt -52.42 -28.25 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 15.4 mm-40 -67.69 -45.82 74.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.69 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -45.7 -41.23 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.514 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 44.5 t -63.38 -32.0 73.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.873 ' HB3' HD21 ' A' ' 72' ' ' LEU . 5.3 mt-10 -67.13 -44.1 80.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.747 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.19 -44.17 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 16' ' ' THR . 81.0 mt -59.22 -37.69 78.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.8 mm-40 -39.1 -38.35 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.29 156.18 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.35 174.86 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.61 ' CB ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -68.37 -53.37 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.05 -58.9 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.31 -48.25 62.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB3' HD21 ' A' ' 23' ' ' LEU . 37.6 tp -52.47 -60.58 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 20' ' ' LEU . 4.9 tp -50.63 -62.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.928 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.02 -46.37 33.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.9 mt -47.36 -63.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.9 mt -49.6 -47.98 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -59.38 -28.13 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.98 25.22 6.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.928 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -84.79 -81.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.602 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -66.01 175.19 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.51 172.34 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.1 t -124.48 120.83 33.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -92.63 36.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 5.2 tptt -152.38 126.11 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.07 -6.51 88.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 -14.54 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.873 HD21 ' HB3' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -98.3 -21.99 16.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -44.87 -48.5 29.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.97 -46.11 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 49' ' ' ILE . 1.9 tpp -57.07 -34.58 68.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.0 mt -64.9 -46.27 82.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -53.69 -54.9 31.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' MET . 14.5 ptpt -65.15 -58.53 5.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 1.004 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 50.9 mt -52.13 -67.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 1.8 tmm_? -40.0 -34.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -56.04 -67.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.444 0.164 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 mtt -169.38 146.32 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.2 t -96.04 158.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 40' ' ' ASP . 20.8 p90 -98.42 173.82 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -142.81 170.36 15.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -40.4 -40.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mt -55.62 -51.27 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -50.22 -42.85 52.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -51.28 -56.86 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -44.1 -43.43 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -53.14 -45.96 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.631 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -40.92 -53.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -76.32 -51.67 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.27 -23.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.19 -46.61 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 12' ' ' ILE . 22.0 p -60.89 -166.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 46.57 -175.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 2.3 ttt180 53.58 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.911 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 142.58 -55.22 0.59 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.911 HD22 ' O ' ' A' ' 19' ' ' GLY . 1.6 mm? -143.24 142.43 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.43 -70.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.69 -39.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -55.06 -56.46 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -45.84 -35.47 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.5 mt -75.45 -55.73 5.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 16.0 mt -38.94 -58.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 23' ' ' LEU . 45.9 m-85 -47.47 -42.95 23.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -42.22 -50.41 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -85.38 -58.08 2.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -38.23 -33.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' PHE . 29.4 mtp -80.64 -56.44 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -46.71 -24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -91.82 -49.57 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' GLU . 2.7 mp0 -88.52 -71.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' A' ' 38' ' ' LEU . 11.4 t80 -42.33 -22.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 14.0 pt-20 -34.19 -49.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.53 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -158.4 49.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.641 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -57.1 130.17 44.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.484 ' O ' HD12 ' A' ' 43' ' ' LEU . 7.9 m -75.35 -175.16 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -72.23 -58.44 3.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -57.12 -32.86 66.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -50.65 60.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 40' ' ' ASP . 5.5 mt -48.99 -49.47 40.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.35 -58.69 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -53.75 -52.27 60.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.769 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -48.66 -53.0 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -61.78 -28.81 69.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.051 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -77.07 -40.53 45.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -76.62 -46.94 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 46' ' ' PHE . 72.8 mt -55.27 -19.12 7.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.6 mm-40 -37.0 -35.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -85.6 153.02 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -78.54 174.22 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -51.92 -63.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.66 ' CA ' HD23 ' A' ' 20' ' ' LEU . 4.0 tm0? -42.81 -61.31 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -54.68 -45.37 73.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -55.14 -60.63 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.833 HD13 HD22 ' A' ' 23' ' ' LEU . 4.0 tp -47.02 -61.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.7 -46.01 29.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 52' ' ' PHE . 4.6 mt -53.28 -60.93 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.3 mt -47.98 -48.37 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -59.87 -29.98 68.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.04 12.55 17.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.572 1.17 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.591 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.33 -80.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.605 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.538 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -63.21 164.13 9.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.0 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -117.0 167.9 10.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.899 ' OG1' HD12 ' A' ' 72' ' ' LEU . 5.5 t -116.43 122.41 44.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -80.97 7.67 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 117.68 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.48 -2.44 42.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -80.92 -2.13 46.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.564 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.899 HD12 ' OG1' ' A' ' 67' ' ' THR . 4.7 mt -108.84 -31.59 7.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.39 -49.96 9.0 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -75.07 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.881 ' O ' HD12 ' A' ' 79' ' ' ILE . 38.2 mmt -54.95 -26.15 34.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.1 mt -72.39 -35.5 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.05 -55.97 20.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -57.12 -60.91 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.881 HD12 ' O ' ' A' ' 75' ' ' MET . 13.7 mt -50.41 -52.59 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.1 ttt85 -46.81 -44.61 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -62.66 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.524 0.202 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.89 63.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.67 160.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.18 ' CE1' HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -172.55 121.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.3 m-20 -167.41 173.52 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' ASP . 5.6 m-20 -40.64 -38.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.2 -52.73 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.75 -49.31 14.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -51.23 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -42.32 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' GLN . 5.0 ttpt -55.95 -42.08 75.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -47.95 -52.51 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -73.53 -40.52 63.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.65 -16.64 63.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -85.44 -44.53 12.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.875 HG22 HD22 ' A' ' 50' ' ' LEU . 7.6 p -57.53 -167.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -179.85 145.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 3.0 ptm180 -85.16 42.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -50.79 -30.28 21.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 20' ' ' LEU . 1.6 mm? -130.55 164.85 23.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.96 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -43.48 -45.21 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.946 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -52.06 -57.75 8.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 15.9 t0 -46.03 -39.39 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.0 mt -74.95 -44.43 48.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 23' ' ' LEU . 57.6 mt -44.87 -61.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.517 ' CE2' HD12 ' A' ' 23' ' ' LEU . 21.4 m-85 -53.56 -18.67 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -69.38 -54.24 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.34 -48.02 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 7.7 t80 -38.8 -66.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.442 ' HG2' ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -48.5 -53.35 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -44.85 -27.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -50.62 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 1.1 mp0 -76.25 -73.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -41.25 -25.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.5 tp10 -34.58 -61.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.86 54.08 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.599 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 46' ' ' PHE . 41.4 mt -55.68 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -162.48 156.1 20.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.052 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 0.4 OUTLIER -39.05 -50.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -50.16 -56.2 11.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.19 -41.18 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.18 HD11 ' CE1' ' A' ' 4' ' ' PHE . 8.9 mt -46.53 -43.64 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -59.59 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CB ' ' HG3' ' A' ' 75' ' ' MET . 8.1 mt-10 -57.15 -61.48 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.51 -61.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 t -46.54 -26.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.936 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.63 -69.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.854 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -44.37 -33.0 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.875 HD22 HG22 ' A' ' 16' ' ' THR . 42.4 mt -68.17 -46.35 70.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLU . 3.2 mm-40 -38.45 -34.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -70.96 152.32 43.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 111.058 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.27 171.93 13.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -63.16 -59.95 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.76 -56.65 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.42 -42.4 99.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.946 HD23 HD11 ' A' ' 23' ' ' LEU . 56.4 tp -57.61 -61.17 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.812 HD13 HD22 ' A' ' 23' ' ' LEU . 4.8 tp -48.4 -61.73 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.658 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.01 -44.54 41.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 52' ' ' PHE . 3.3 mt -54.0 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -47.35 -49.42 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.37 -33.71 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.59 27.61 4.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.658 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -88.18 -84.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.568 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -53.8 176.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.88 167.87 12.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 t -133.07 121.24 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.03 35.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' HD12 ' A' ' 72' ' ' LEU . 71.0 mmtt -145.23 119.05 9.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.49 -4.86 89.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -20.11 53.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.786 . . . . 0.0 109.631 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.936 HD21 ' HB3' ' A' ' 48' ' ' GLU . 1.7 mt -93.35 -24.16 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.2 -48.92 8.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.03 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.523 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.8 -30.23 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 76' ' ' LEU . 6.4 mt -67.28 -31.86 72.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' PRO . 5.1 mm-40 -71.44 -53.45 13.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -65.21 -42.91 93.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.754 ' CD1' HD13 ' A' ' 49' ' ' ILE . 66.4 mt -63.58 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -49.71 -22.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -71.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.498 0.189 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -150.43 100.3 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 4' ' ' PHE . 21.8 t -104.65 162.92 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER 176.09 106.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 8' ' ' ALA . 5.3 m-20 -130.99 178.76 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 7' ' ' ILE . 2.8 p30 -43.63 -27.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 70.3 mt -65.79 -49.09 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -48.69 -24.76 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -58.53 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -44.94 -38.56 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ILE . 35.5 mmtt -53.84 -53.07 57.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.667 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -40.26 -50.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.26 -53.75 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -44.56 -25.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -51.45 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.611 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 20.9 p -56.45 -166.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 59.51 165.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.2 mtp180 67.42 176.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.927 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 73.58 -55.01 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.004 HD23 HD22 ' A' ' 58' ' ' LEU . 3.7 mp -143.35 136.86 28.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.0 tp -65.22 -63.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.2 -41.95 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.927 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.38 -53.01 50.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -49.02 -37.69 21.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -72.46 -48.99 36.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 23' ' ' LEU . 30.6 mt -46.67 -52.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 17.4 m-85 -53.95 -40.3 66.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.56 -49.29 5.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -85.19 -55.59 3.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -37.76 -59.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.58 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.1 -25.23 3.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -92.29 -57.89 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' C ' ' N ' ' A' ' 36' ' ' GLU . 31.9 mm-40 -75.63 -74.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' HA ' HD12 ' A' ' 38' ' ' LEU . 1.3 t80 -44.96 -19.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 37' ' ' HIS . 7.9 pt-20 -34.2 -48.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.532 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER -157.94 48.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.831 HD11 ' CZ ' ' A' ' 46' ' ' PHE . 41.5 mt -59.49 -169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.486 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.7 t -163.07 -176.23 4.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' N ' ' OG ' ' A' ' 39' ' ' SER . 15.7 t0 -52.3 -61.23 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -38.91 -56.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.711 ' HB3' HD22 ' A' ' 38' ' ' LEU . 24.1 mm-40 -64.3 -43.76 93.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -46.76 -45.38 19.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -59.49 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 46.7 mm-40 -61.18 -58.45 8.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.831 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -45.91 -54.63 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.5 t -62.77 -20.63 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -84.59 -41.57 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.746 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.6 -48.58 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 12' ' ' ILE . 56.8 mt -49.76 -24.04 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -39.1 -34.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.673 ' CE2' HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -83.52 154.34 23.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 169.35 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.645 ' O ' HD23 ' A' ' 23' ' ' LEU . 5.1 m-20 -59.44 -46.48 88.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.664 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -54.08 -56.37 18.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 13.5 mm-40 -63.56 -41.08 98.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.774 HD23 HD11 ' A' ' 23' ' ' LEU . 54.8 tp -52.52 -61.18 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.004 HD22 HD23 ' A' ' 20' ' ' LEU . 3.5 tp -47.37 -62.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.79 -45.75 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -54.99 -62.19 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.9 mt -48.69 -47.26 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -58.45 -36.08 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.4 21.36 5.53 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.546 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.99 -86.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 176.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.64 168.61 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.457 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.2 t -121.76 120.9 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -91.19 33.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 80.8 mttt -151.71 120.39 6.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.51 -3.65 78.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -86.49 -7.37 58.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.573 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.746 HD22 HG13 ' A' ' 49' ' ' ILE . 4.4 mt -105.0 -33.63 8.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -42.05 -49.92 11.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.533 1.807 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.575 ' O ' HD12 ' A' ' 79' ' ' ILE . 83.9 mmm -53.55 -21.43 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.3 mt -75.34 -41.08 57.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.39 -51.48 68.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -63.24 -58.61 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.6 HG23 ' CE1' ' A' ' 30' ' ' PHE . 65.5 mt -52.22 -50.82 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -46.23 -48.01 17.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -57.78 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.531 0.205 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.49 146.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 4' ' ' PHE . 59.5 t -84.71 161.9 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.64 ' CE2' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -65.74 104.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.928 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.423 ' H ' ' HB3' ' A' ' 8' ' ' ALA . 36.4 m-20 -155.04 -179.65 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -49.86 -47.23 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.9 mp -54.37 -50.91 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.423 ' HB3' ' H ' ' A' ' 5' ' ' ASP . . . -46.36 -50.86 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -46.23 79.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -52.68 -43.73 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.5 tptt -55.38 -47.58 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -39.78 -54.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -74.58 -48.02 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -51.12 -22.52 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.4 mm-40 -85.08 -48.93 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p -56.26 -167.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 175.31 161.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CA ' ' HB2' ' A' ' 24' ' ' ASP . 25.5 ptt180 -96.14 20.09 10.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -36.94 -67.5 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 54' ' ' ASP . 4.2 mm? -90.91 130.44 36.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 20' ' ' LEU . 49.7 tp -39.64 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -38.89 -48.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.92 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -52.47 -55.88 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB2' ' CA ' ' A' ' 18' ' ' ARG . 24.2 t0 -47.51 -39.87 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 6.4 mt -74.29 -46.28 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.872 HD12 ' HA ' ' A' ' 23' ' ' LEU . 51.9 mt -44.39 -61.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 23' ' ' LEU . 28.4 m-85 -50.29 -21.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -60.06 -60.25 8.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -85.58 -47.06 10.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.812 ' CE1' HG23 ' A' ' 79' ' ' ILE . 12.1 t80 -38.74 -66.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.31 -46.56 83.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -45.56 -29.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -94.87 -45.21 7.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.433 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.02 -74.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.47 ' CB ' ' CG ' ' A' ' 31' ' ' MET . 0.2 OUTLIER -42.32 -25.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -34.98 -57.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.88 50.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 34' ' ' GLU . 36.5 mt -48.2 140.24 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -74.2 169.45 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -67.62 -51.09 54.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -65.08 -42.86 93.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' OE1' ' NZ ' ' A' ' 78' ' ' LYS . 47.9 mt-10 -62.26 -42.7 99.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD12 ' CE2' ' A' ' 4' ' ' PHE . 11.8 mt -48.29 -55.26 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.5 -53.13 15.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 5.7 mm-40 -53.78 -57.8 9.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -42.61 -42.78 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -36.87 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.9 mt-10 -72.47 -39.92 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.587 HG21 HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -75.57 -49.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 49' ' ' ILE . 47.4 mt -50.99 -23.46 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.8 mm-40 -37.72 -34.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 60' ' ' LEU . 3.3 m-85 -81.66 149.06 28.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -85.06 -178.74 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.664 ' HB2' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.06 -62.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -44.9 -59.9 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 36.7 mt-10 -56.55 -55.02 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.847 HD23 HD11 ' A' ' 23' ' ' LEU . 46.6 tp -47.19 -59.43 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.92 HD13 HD22 ' A' ' 23' ' ' LEU . 5.8 tp -46.51 -59.46 2.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.932 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -47.66 -48.26 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' CE2' ' A' ' 52' ' ' PHE . 3.8 mt -50.85 -44.41 59.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.13 -54.9 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.65 -32.4 59.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.79 27.46 3.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.932 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.31 -85.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.608 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -60.16 167.78 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -127.67 172.7 10.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.998 ' OG1' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.39 122.57 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 23.06 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -136.83 117.56 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.02 -6.42 56.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -78.15 -4.3 46.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.998 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.5 mt -105.56 -33.89 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.525 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -37.1 -50.83 2.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.799 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.5 OUTLIER -48.85 -22.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 80' ' ' ARG . 8.1 mt -75.46 -40.42 57.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 81' ' ' ARG . 3.6 mm-40 -60.95 -50.65 72.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.444 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.31 -48.98 68.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.812 HG23 ' CE1' ' A' ' 30' ' ' PHE . 59.7 mt -61.71 -67.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -43.68 -25.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -60.86 -71.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.45 0.167 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 ptt? 177.31 65.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 4' ' ' PHE . 33.1 t -137.09 162.69 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.671 ' CE1' ' CD1' ' A' ' 43' ' ' LEU . 1.5 t80 -80.16 121.39 25.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -161.43 -175.0 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -40.45 -46.36 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt -50.0 -53.74 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.55 -39.23 48.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.65 27.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.46 -51.3 70.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -50.22 -35.91 28.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -50.84 -49.18 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 8.3 mtp180 -74.92 -40.93 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.14 -18.68 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -85.12 -55.56 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 12' ' ' ILE . 47.4 p -44.48 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 0.2 OUTLIER 68.49 113.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.77 68.32 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -65.78 -8.9 43.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.818 ' CD2' HD22 ' A' ' 58' ' ' LEU . 3.9 mp -129.31 162.7 27.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -65.56 -66.43 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -50.04 -38.6 38.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.74 -58.02 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.708 ' OD1' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.17 -35.29 4.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.708 HD23 ' OD1' ' A' ' 24' ' ' ASP . 6.8 mt -75.34 -43.68 49.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.4 mt -52.85 -62.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 18.6 m-85 -57.31 -40.65 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.21 -55.23 4.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -85.08 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 3.7 t80 -39.81 -30.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' PHE . 14.1 mtp -85.36 -57.9 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.44 -24.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HE2' ' CB ' ' A' ' 82' ' ' ALA . 1.8 ttpt -93.68 -45.12 7.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.875 ' HB3' HD21 ' A' ' 38' ' ' LEU . 71.1 mm-40 -91.99 -70.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 31' ' ' MET . 38.5 t80 -38.47 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLU . 7.7 tt0 -35.3 -53.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.68 49.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.875 HD21 ' HB3' ' A' ' 34' ' ' GLU . 30.0 mt -46.48 128.62 10.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.73 163.51 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.6 t70 -60.22 -53.74 54.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -64.97 -39.71 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.67 -39.98 95.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.671 ' CD1' ' CE1' ' A' ' 4' ' ' PHE . 14.3 mt -50.89 -27.01 6.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -64.03 -51.62 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB3' ' CE ' ' A' ' 78' ' ' LYS . 49.8 mt-10 -54.17 -52.89 59.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.817 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -52.35 -61.53 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' LEU . 14.1 t -47.23 -65.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 72' ' ' LEU . 3.4 tp10 -39.32 -50.94 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -67.09 -40.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.652 HD21 HG22 ' A' ' 16' ' ' THR . 25.5 mt -55.14 -28.58 53.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 2.4 mm-40 -36.76 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 60' ' ' LEU . 5.0 m-85 -84.32 149.28 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.2 -178.79 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -54.64 -62.95 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.5 -58.24 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 6.6 mm-40 -52.72 -51.72 59.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.84 HD23 HD11 ' A' ' 23' ' ' LEU . 11.4 tp -56.61 -59.74 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.818 HD22 ' CD2' ' A' ' 20' ' ' LEU . 3.6 tp -47.49 -63.88 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 64' ' ' HIS . . . -48.99 -47.83 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.785 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.9 mt -52.52 -62.34 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.7 mt -50.2 -47.29 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -59.26 -23.1 62.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 98.99 27.64 8.18 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.57 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -93.81 -82.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.725 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -63.08 158.89 18.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.59 174.58 6.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.5 t -128.23 124.9 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -87.42 35.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -142.66 117.7 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.31 5.36 55.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -82.36 -26.38 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.609 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.705 HD21 ' CG ' ' A' ' 48' ' ' GLU . 5.3 mt -94.3 -27.58 16.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.75 -50.09 3.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.06 -32.35 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.696 ' SD ' HD23 ' A' ' 72' ' ' LEU . 52.6 mtt -69.66 -52.27 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' LEU . 1.8 mt -43.71 -31.09 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.81 -42.21 74.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -65.44 -30.65 71.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.816 HG13 HD13 ' A' ' 49' ' ' ILE . 10.9 mm -60.47 -61.07 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -40.92 -44.5 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.72 -59.76 2.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.134 . . . . 0.0 110.357 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' HE2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.478 0.18 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 56.74 166.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 4' ' ' PHE . 64.7 t -97.93 161.66 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 43' ' ' LEU . 2.7 p90 -123.19 166.68 14.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 17.6 m-20 -141.98 173.78 11.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -40.66 -39.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mt -57.6 -52.96 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -48.09 -41.13 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -54.76 33.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.8 -39.58 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.2 -45.42 72.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -45.32 -51.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.8 mtp180 -75.5 -43.3 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.17 -24.19 39.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -85.11 -46.11 11.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.599 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 17.5 p -60.55 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' THR . 5.4 mtp180 52.08 173.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 61.22 137.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.787 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 108.21 -57.45 0.43 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.042 HD23 HD22 ' A' ' 58' ' ' LEU . 2.3 mp -141.86 130.84 23.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.49 -70.35 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -42.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.13 -57.04 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.95 -39.0 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.99 -50.75 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 42.1 mt -40.82 -56.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 23.2 m-85 -49.42 -44.13 45.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -42.71 -43.81 5.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtt-85 -89.13 -46.63 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -54.11 -30.59 49.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.5 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -82.49 -38.09 24.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.54 -28.01 29.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -51.41 4.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.648 ' HB3' HD21 ' A' ' 38' ' ' LEU . 14.5 mm-40 -76.13 -78.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.601 ' CE1' HG21 ' A' ' 12' ' ' ILE . 16.0 t80 -40.36 -26.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLU . 11.4 tt0 -36.2 -63.59 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -144.81 57.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.544 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 68.2 mt -59.52 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -161.79 160.18 27.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.1 t70 -37.37 -59.9 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -47.43 75.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.3 tt0 -60.65 -30.43 69.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 4' ' ' PHE . 15.7 mt -69.4 -45.89 68.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.2 p -49.74 -59.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' A' ' 75' ' ' MET . 10.7 pt-20 -54.5 -48.33 72.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.828 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -59.53 -59.02 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.4 t -59.92 -19.37 51.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.1 mt-10 -85.7 -44.64 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.771 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.16 -44.64 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 46' ' ' PHE . 6.9 mt -55.84 -19.05 10.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -37.76 -38.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.4 m-85 -84.64 155.59 21.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -78.23 173.63 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HD23 ' A' ' 23' ' ' LEU . 30.0 m-20 -60.42 -56.71 18.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.681 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -45.31 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -64.32 -39.31 93.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 23' ' ' LEU . 45.5 tp -54.04 -61.53 2.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.042 HD22 HD23 ' A' ' 20' ' ' LEU . 2.9 tp -47.51 -59.86 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.718 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.31 -45.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 52' ' ' PHE . 2.3 mt -52.99 -44.16 67.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.0 mm -61.47 -57.32 12.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -54.93 -24.47 23.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.77 29.78 6.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.718 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.87 -84.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.4 t -65.74 175.07 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -116.96 165.35 13.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 t -122.63 123.03 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.45 36.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 9.7 tptt -149.66 119.59 7.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.82 -10.76 86.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.29 3.33 28.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.771 HD22 HG13 ' A' ' 49' ' ' ILE . 18.6 mt -113.91 -39.17 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.52 -51.39 3.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.0 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.705 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -48.9 -22.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -75.34 -45.9 36.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.08 -47.56 65.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -61.53 -60.96 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 49' ' ' ILE . 33.4 mt -51.69 -58.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.02 -38.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -59.16 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.269 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.437 0.161 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.02 157.33 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' PHE . 11.3 t -84.12 156.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 166.12 92.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -127.02 -164.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -44.88 -31.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mt -66.38 -58.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.624 ' HB3' ' HD1' ' A' ' 4' ' ' PHE . . . -43.24 -38.89 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.19 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.6 -40.04 90.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -53.74 -59.09 5.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.68 ' CD1' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -39.15 -45.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 15' ' ' GLN . 6.0 mtp180 -75.72 -59.64 2.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -41.39 -27.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 13' ' ' ARG . 1.8 mm-40 -82.0 -57.79 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.587 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 13.6 p -45.3 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -36.08 123.81 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -150.9 -153.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.69 -39.51 98.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.771 HD12 HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -67.38 110.49 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASP . 15.8 tp -65.48 -62.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -47.74 11.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.89 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.8 tp -52.02 -35.15 46.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.4 t70 -64.25 -27.02 68.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.72 -58.87 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 mt -40.74 -62.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 30.4 m-85 -40.05 -48.0 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.96 -49.68 6.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.2 -56.0 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.818 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -37.47 -51.39 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -66.1 -59.56 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -47.51 -24.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -94.12 -43.81 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.683 ' OE2' ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -92.64 -72.87 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' MET . 24.6 t80 -38.31 -32.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -46.23 75.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.1 t-80 -83.93 -33.76 24.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD22 ' HB3' ' A' ' 42' ' ' GLU . 92.5 mt -51.12 -178.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.487 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -163.71 -174.71 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -47.73 -46.71 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -54.27 -67.03 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.765 ' HB3' HD22 ' A' ' 38' ' ' LEU . 2.6 mm-40 -54.39 -43.0 71.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -42.42 -43.89 3.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -57.05 8.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLU . 29.7 mm-40 -61.15 -50.72 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.553 ' CD2' HD11 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -40.32 -52.99 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -58.92 -40.3 84.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.921 ' HB3' HD21 ' A' ' 72' ' ' LEU . 13.7 mt-10 -60.56 -44.58 96.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.848 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -74.65 -54.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 ' CD1' ' A' ' 12' ' ' ILE . 30.4 mt -43.61 -35.83 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.9 mt-10 -35.99 -39.81 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.6 m-85 -64.29 145.71 55.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' NE2' ' HG3' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -71.91 174.13 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.713 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.8 m-20 -70.42 -47.63 59.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.03 -60.54 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 53' ' ' GLN . 16.9 mm-40 -59.6 -50.92 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD21 ' A' ' 23' ' ' LEU . 55.5 tp -43.58 -61.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD22 HD12 ' A' ' 20' ' ' LEU . 6.3 tp -45.63 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.701 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.68 -46.92 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.3 mt -53.33 -52.42 59.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 61' ' ' ILE . 5.2 mm -48.01 -58.67 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.38 -34.29 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.36 26.01 3.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.701 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -84.23 -85.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.615 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 1.2 m -56.06 167.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -125.86 173.73 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.431 HG21 HD12 ' A' ' 76' ' ' LEU . 1.9 t -128.55 122.41 30.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.66 38.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.834 ' HB2' HD12 ' A' ' 72' ' ' LEU . 17.4 mttt -138.14 117.89 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.73 -13.03 74.85 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.41 -18.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.921 HD21 ' HB3' ' A' ' 48' ' ' GLU . 18.3 mt -98.12 -34.99 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -38.45 -49.92 3.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.5 Cg_endo -74.97 -58.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 79' ' ' ILE . 96.3 mmm -48.85 -24.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.728 ' HG ' HD11 ' A' ' 49' ' ' ILE . 9.2 mt -75.71 -36.06 60.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' PRO . 3.2 mm-40 -61.42 -51.76 67.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 1.2 ptpm? -64.06 -54.11 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.818 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 36.0 mt -56.54 -61.5 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 4.6 ttt180 -47.43 -32.22 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -49.7 -61.7 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' OE2' ' A' ' 34' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.49 0.186 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.17 131.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.38 150.48 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.805 ' CE1' HD13 ' A' ' 43' ' ' LEU . 3.7 t80 -64.3 144.85 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -177.21 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -40.77 -38.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -61.93 -55.12 26.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -42.89 -43.77 4.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -65.49 -42.37 92.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' ILE . 9.9 tptm -50.14 -53.77 25.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -39.63 -51.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.366 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.1 mtt180 -75.53 -50.42 15.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -48.09 -30.51 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -78.92 -47.97 15.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.722 HG22 HD22 ' A' ' 50' ' ' LEU . 31.5 p -60.45 -161.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER 54.98 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 8.0 ttt85 70.36 120.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 123.75 -61.49 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -136.6 143.6 43.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.8 tp -64.17 -68.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.59 -43.21 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.937 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -51.13 -54.82 21.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.54 -37.42 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ILE . 6.9 mt -75.63 -51.25 13.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 23' ' ' LEU . 55.4 mt -38.36 -62.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -41.35 -55.0 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.03 -46.7 5.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -85.13 -62.27 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -42.27 -45.71 4.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.986 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.516 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -65.32 -37.24 86.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 31' ' ' MET . 0.6 OUTLIER -65.78 -27.09 68.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -99.25 -3.24 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.635 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.1 mm-40 -126.65 -77.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' MET . 10.7 t80 -48.17 -32.18 6.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.14 -9.15 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -127.03 -41.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 34' ' ' GLU . 32.0 mt -43.7 114.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -75.77 174.59 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 43' ' ' LEU . 1.2 t0 -44.28 -62.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -46.48 -57.66 4.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' GLU . 4.7 mt-10 -53.44 -50.1 65.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD13 ' CE1' ' A' ' 4' ' ' PHE . 18.5 mt -44.71 -30.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 t -60.5 -44.28 96.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 6.9 mm-40 -63.41 -59.59 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -40.97 -48.72 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -39.71 23.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.1 tp10 -63.74 -68.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -45.74 -43.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.729 HD11 HD13 ' A' ' 12' ' ' ILE . 56.2 mt -51.45 -36.01 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 48' ' ' GLU . 2.1 mm-40 -37.65 -34.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -78.78 148.74 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 174.51 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 9.3 m-20 -59.45 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.96 -56.58 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.7 -50.5 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 23' ' ' LEU . 58.1 tp -48.23 -61.06 2.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 23' ' ' LEU . 6.7 tp -50.69 -58.1 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.853 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.29 -47.84 46.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 65' ' ' SER . 3.8 mt -45.17 -61.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.763 HG23 ' HG3' ' A' ' 80' ' ' ARG . 58.8 mt -49.47 -44.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -62.27 -34.85 77.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.68 14.72 8.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.853 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -69.06 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.605 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.408 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.08 174.53 9.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -123.58 168.35 12.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.844 ' OG1' HD12 ' A' ' 72' ' ' LEU . 4.2 t -109.69 120.86 43.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -90.26 36.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -161.97 129.44 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.89 -6.59 88.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -79.53 -3.67 47.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 109.609 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.844 HD12 ' OG1' ' A' ' 67' ' ' THR . 1.8 mt -111.14 -25.52 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -43.19 -48.04 15.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.99 -51.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.573 ' HB3' HD12 ' A' ' 79' ' ' ILE . 1.3 mpp? -53.21 -34.97 59.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 49' ' ' ILE . 5.1 mt -64.28 -41.26 96.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.57 -57.25 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' CE ' ' SD ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -64.63 -53.01 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.708 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 54.3 mt -53.41 -66.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.763 ' HG3' HG23 ' A' ' 61' ' ' ILE . 3.5 ttm180 -41.01 -37.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.9 -62.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.568 0.223 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER 53.62 169.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 4' ' ' PHE . 48.9 t -75.46 161.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.667 ' CZ ' ' CD1' ' A' ' 43' ' ' LEU . 9.5 p90 -113.31 173.93 6.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' ALA . 27.8 m-20 -149.45 176.37 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -49.71 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt -47.25 -49.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -51.37 -49.95 60.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD2' HD21 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.78 -41.1 56.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -42.19 70.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 7.8 tttp -55.12 -46.8 75.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -39.89 -53.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -74.87 -44.07 50.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -55.77 -22.14 22.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.37 -48.97 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.694 HG22 ' CD1' ' A' ' 27' ' ' PHE . 1.2 p -52.54 -59.29 4.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -37.01 135.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER 81.98 155.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.258 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.726 ' O ' HD22 ' A' ' 20' ' ' LEU . . . 114.26 -62.37 0.33 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.768 HD23 ' CA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -152.58 139.91 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 0.728 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 24' ' ' ASP . 30.9 tp -54.87 -72.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.96 -49.44 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -49.04 -45.7 43.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 21' ' ' LEU . 6.3 t0 -55.29 -34.54 64.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.01 -50.66 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 23' ' ' LEU . 6.6 mt -50.06 -57.98 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.6 m-85 -45.55 -45.88 13.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.39 -47.3 5.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -85.21 -57.83 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 110.281 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.824 ' CE1' HG23 ' A' ' 79' ' ' ILE . 6.6 t80 -38.38 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 16' ' ' THR . 0.4 OUTLIER -85.42 -47.05 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.997 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.37 -28.47 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.15 -55.01 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 38' ' ' LEU . 12.3 mm-40 -74.64 -77.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 10.9 t80 -40.41 -25.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 4.3 tm-20 -34.5 -53.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -155.18 53.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.655 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 34' ' ' GLU . 53.9 mt -57.79 129.74 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -75.4 171.83 13.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 9.9 t70 -55.72 -51.72 66.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -64.13 -44.35 92.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 1.2 mm-40 -59.26 -28.32 66.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.667 ' CD1' ' CZ ' ' A' ' 4' ' ' PHE . 13.2 mt -75.54 -17.2 60.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -75.27 -60.51 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 2.6 pm0 -53.15 -44.95 68.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.716 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -55.95 -56.86 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 t -60.55 -19.68 58.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.789 ' HB3' HD21 ' A' ' 72' ' ' LEU . 3.3 mt-10 -85.39 -47.14 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.887 HD13 HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -73.88 -42.43 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 46' ' ' PHE . 87.6 mt -54.22 -27.22 33.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.36 -34.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.2 153.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.07 163.79 23.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 5.8 m-20 -52.2 -58.67 5.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.768 ' CA ' HD23 ' A' ' 20' ' ' LEU . 1.4 tm0? -42.4 -58.59 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.8 -40.6 93.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD23 HD11 ' A' ' 23' ' ' LEU . 66.3 tp -56.73 -61.35 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.94 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -44.83 -59.69 2.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.918 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.67 -47.76 40.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 2.4 mt -52.32 -44.73 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.6 mm -58.32 -55.97 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -58.53 -32.92 69.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.96 26.48 3.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.918 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -81.89 -85.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.591 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -57.18 167.51 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -123.37 167.92 13.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.3 t -126.52 121.12 31.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.19 34.21 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.63 ' HB2' HD12 ' A' ' 72' ' ' LEU . 62.2 mmtt -142.1 115.98 9.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.12 -7.98 60.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 75' ' ' MET . 28.3 m-70 -89.3 -3.37 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.841 HD22 HG13 ' A' ' 49' ' ' ILE . 28.7 mt -109.94 -38.3 5.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -42.85 -49.14 13.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.06 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.479 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 30.4 mmt -57.27 -24.21 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.566 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.2 mt -75.91 -29.06 58.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 80' ' ' ARG . 4.1 mm-40 -65.96 -50.17 65.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -62.97 -34.76 78.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.887 HD12 HD13 ' A' ' 49' ' ' ILE . 64.8 mt -70.67 -50.36 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.436 ' CD ' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -56.7 -22.2 33.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.244 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -56.08 -66.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.49 0.186 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.66 61.76 1.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.71 145.74 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -177.61 119.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.651 ' H ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -168.85 166.61 11.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.45 -29.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 5' ' ' ASP . 2.7 mp -74.48 -57.15 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.651 ' HB3' ' H ' ' A' ' 5' ' ' ASP . . . -42.39 -35.05 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -62.75 -61.1 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -63.82 -47.42 80.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLN . 1.4 tttm -43.14 -50.81 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -56.48 -50.1 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -58.62 -54.7 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.303 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.63 -17.24 64.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.96 -41.21 97.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.924 HG22 HD22 ' A' ' 50' ' ' LEU . 71.5 p -55.96 -163.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 1.4 mmt180 -163.72 144.03 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' CB ' ' CG ' ' A' ' 24' ' ' ASP . 43.0 ptt85 -91.06 15.03 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -34.45 -38.86 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.067 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' LEU . 2.1 mm? -125.33 124.33 41.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LEU . 11.6 tp -35.27 -79.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 26' ' ' ILE . 2.4 tp10 -37.82 -54.36 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.4 tp -51.91 -49.12 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 55.6 t0 -55.0 -42.36 72.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLY . 4.2 mt -74.07 -43.72 56.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 23' ' ' LEU . 44.8 mt -38.24 -64.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CE2' ' HB ' ' A' ' 16' ' ' THR . 49.0 m-85 -45.03 -38.77 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -43.0 -59.86 3.2 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 33' ' ' LYS . 10.0 mtt85 -87.66 -49.08 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 0.738 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.696 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -37.55 -68.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.629 ' O ' ' N ' ' A' ' 35' ' ' PHE . 1.1 ttp -49.82 -53.64 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.1 -28.09 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -98.64 5.72 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 37' ' ' HIS . 3.7 mm-40 -135.29 -72.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.651 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.9 -37.52 9.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -64.05 -13.61 48.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' GLU . 73.6 t60 -120.19 -7.84 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.887 HD11 ' CE1' ' A' ' 46' ' ' PHE . 59.0 mt -66.18 -169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.2 m -163.05 164.07 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' SER . 65.7 t0 -37.81 -37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -62.48 -66.01 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.724 ' CB ' HD22 ' A' ' 38' ' ' LEU . 3.2 mm-40 -53.27 -38.64 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.623 HD12 ' CD2' ' A' ' 4' ' ' PHE . 3.9 mt -41.8 -40.74 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 m -64.12 -52.93 56.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLU . 53.4 mm-40 -57.73 -57.29 13.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.887 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -43.26 -61.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -55.77 -19.22 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.976 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -85.45 -43.38 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -76.7 -40.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.924 HD22 HG22 ' A' ' 16' ' ' THR . 11.1 mt -60.35 -32.7 71.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.0 OUTLIER -38.06 -40.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-85 -66.79 154.2 41.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -77.46 174.6 10.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.656 ' CB ' HD23 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -66.28 -61.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -42.52 -54.97 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.32 -44.99 93.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 tp -53.97 -55.14 29.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD13 HD22 ' A' ' 23' ' ' LEU . 3.3 tp -52.7 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.991 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -46.46 -44.17 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -49.07 -63.18 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.4 mt -50.96 -42.19 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -64.53 -31.29 72.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 111.21 17.9 8.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.991 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -78.26 -83.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.593 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.59 174.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.51 165.17 17.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.0 t -122.44 123.07 40.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.36 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.8 t0 -89.06 36.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 24.2 mttt -157.07 122.44 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.23 -11.28 81.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -72.64 -5.47 37.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 HG13 ' A' ' 49' ' ' ILE . 2.5 mt -103.23 -26.08 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -40.99 -49.93 7.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.1 Cg_endo -74.99 -35.43 3.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.681 ' O ' HD12 ' A' ' 79' ' ' ILE . 18.6 mmt -69.86 -24.33 63.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 6.9 mt -74.97 -27.3 60.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.0 -55.81 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' NZ ' ' OE1' ' A' ' 42' ' ' GLU . 1.1 ptmt -58.01 -41.17 82.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 75' ' ' MET . 46.7 mt -71.83 -41.18 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.543 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 44.2 ttt-85 -64.03 -22.17 66.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.54 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tpt . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.478 0.18 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.3 121.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 4' ' ' PHE . 23.8 t -80.15 162.97 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.824 ' CE2' HD13 ' A' ' 43' ' ' LEU . 3.2 p90 -104.76 157.68 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' ALA . 7.5 m-20 -123.59 169.75 11.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -33.17 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' C ' ' N ' ' A' ' 9' ' ' LYS . 2.6 mp -60.57 -49.2 85.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.749 ' HB3' ' HD2' ' A' ' 4' ' ' PHE . . . -42.3 -28.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -66.35 -61.23 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -61.6 -21.37 64.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 14.1 tttt -70.1 -44.53 68.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.591 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -46.1 -49.87 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -75.3 -54.26 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -45.84 -24.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -83.6 -52.78 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.607 HG22 ' CE1' ' A' ' 27' ' ' PHE . 6.7 p -52.57 133.62 35.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' O ' ' OD1' ' A' ' 54' ' ' ASP . 18.0 ttt180 -135.35 156.02 49.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -88.5 19.04 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.589 ' C ' HD22 ' A' ' 20' ' ' LEU . . . -37.16 -31.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.589 HD22 ' C ' ' A' ' 19' ' ' GLY . 3.6 mm? -131.39 137.56 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 tp -42.86 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.13 -56.0 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.942 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -45.14 -52.11 9.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' CG ' ' CB ' ' A' ' 18' ' ' ARG . 65.5 t0 -52.22 -45.88 65.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' GLY . 3.9 mt -67.01 -46.86 73.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.942 HD12 ' HA ' ' A' ' 23' ' ' LEU . 58.3 mt -45.06 -61.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' A' ' 16' ' ' THR . 16.3 m-85 -53.32 -16.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -62.4 -61.45 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -86.09 -46.67 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.988 ' CE1' HG23 ' A' ' 79' ' ' ILE . 33.7 t80 -38.07 -34.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -78.39 -45.57 22.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.93 -23.54 66.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -14.76 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.889 ' HB3' HD21 ' A' ' 38' ' ' LEU . 3.0 mm-40 -122.31 -76.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' MET . 4.0 t80 -43.25 -25.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -44.64 -50.65 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CB ' ' OE2' ' A' ' 36' ' ' GLU . 2.7 t-80 -155.32 58.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.889 HD21 ' HB3' ' A' ' 34' ' ' GLU . 51.6 mt -59.09 141.48 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.85 171.83 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.593 ' HA ' ' CE1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -68.3 -57.38 6.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -60.45 -45.03 95.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -43.0 82.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD13 ' CE2' ' A' ' 4' ' ' PHE . 15.3 mt -54.84 -28.43 49.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -59.37 3.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 1.2 mp0 -57.78 -51.32 70.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -46.86 -50.77 18.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -62.83 -19.75 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.939 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -83.35 -46.85 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.887 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -69.19 -44.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 12' ' ' ILE . 68.3 mt -50.4 -33.14 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -38.62 -34.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -80.83 151.28 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -84.2 174.97 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.494 ' CB ' HD23 ' A' ' 20' ' ' LEU . 4.4 m-20 -50.64 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -46.44 -60.58 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 3.5 mt-10 -51.55 -48.06 63.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.942 HD23 HD11 ' A' ' 23' ' ' LEU . 54.9 tp -57.72 -58.79 6.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 23' ' ' LEU . 5.0 tp -52.87 -60.12 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.08 -43.45 41.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.704 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.6 mt -50.62 -63.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.5 mt -50.48 -47.99 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -56.5 -34.68 67.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.81 19.58 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.866 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -79.24 -84.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.616 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.609 ' O ' HD23 ' A' ' 60' ' ' LEU . 1.6 m -64.54 164.37 11.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -117.43 166.8 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' THR . 0.8 OUTLIER -128.91 120.26 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -97.91 35.16 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HB2' HD12 ' A' ' 72' ' ' LEU . 1.1 mmpt? -136.13 117.49 14.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.01 -14.58 70.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -83.3 3.17 32.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.939 HD21 ' HB3' ' A' ' 48' ' ' GLU . 45.8 mt -114.85 -39.09 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.534 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -38.27 -50.22 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.709 ' HG3' HD11 ' A' ' 79' ' ' ILE . 2.0 tpp -53.87 -31.7 50.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.786 ' HG ' HD11 ' A' ' 49' ' ' ILE . 4.9 mt -65.97 -45.67 80.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.087 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -56.33 -58.35 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.477 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.6 -62.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.988 HG23 ' CE1' ' A' ' 30' ' ' PHE . 63.0 mt -46.63 -45.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -55.95 -34.33 65.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -58.42 -69.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 3' ' ' VAL . 21.9 mtt . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.513 0.197 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.79 107.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 1' ' ' MET . 46.9 t -142.37 158.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CG ' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -149.53 165.63 31.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.05 -179.6 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.8 -32.59 6.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.41 -43.04 97.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -61.12 -57.47 12.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -60.5 -35.03 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.59 -27.06 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -75.3 -35.58 61.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -42.5 -52.15 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' HE2' ' A' ' 31' ' ' MET . 0.0 OUTLIER -75.62 -38.09 59.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -20.7 66.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.39 -37.71 19.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.516 HG21 ' HE3' ' A' ' 31' ' ' MET . 1.3 p -65.11 -168.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 64.18 122.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.18 -153.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.92 52.04 2.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.662 HD13 HD22 ' A' ' 58' ' ' LEU . 3.3 mt -146.7 112.34 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLU . 60.7 tp -65.3 -73.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -38.54 -49.76 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.981 ' HA ' HD12 ' A' ' 26' ' ' ILE . 12.4 tp -57.34 -51.75 68.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.13 -36.35 40.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.692 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.5 mt -70.22 -49.15 53.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.981 HD12 ' HA ' ' A' ' 23' ' ' LEU . 25.9 mt -47.02 -61.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 31' ' ' MET . 19.4 m-85 -44.19 -40.63 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.88 -59.43 3.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 5.7 mmt180 -84.41 -48.12 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.745 ' CE2' HG23 ' A' ' 79' ' ' ILE . 0.9 OUTLIER -42.73 -27.56 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.583 ' HE2' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -81.64 -40.22 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 1.4 tt0 -63.78 -21.47 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -25.59 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.774 ' HB3' HD21 ' A' ' 38' ' ' LEU . 1.4 mp0 -117.46 -77.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 12' ' ' ILE . 13.4 t80 -41.74 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' MET . 6.4 tt0 -57.28 -41.53 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 4.4 t-160 -155.01 55.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.774 HD21 ' HB3' ' A' ' 34' ' ' GLU . 29.4 mt -57.15 -162.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -160.37 150.74 18.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 4.8 t0 -41.9 -63.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -57.76 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' SER . 13.6 mt-10 -81.88 -14.95 55.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.615 HD12 ' CG ' ' A' ' 4' ' ' PHE . 3.8 mt -75.97 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 32.8 t -41.42 -60.26 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -50.05 -48.43 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.693 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -62.72 -46.86 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 33.0 t -66.96 -22.83 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.623 ' HB3' HD21 ' A' ' 72' ' ' LEU . 1.4 tp10 -83.14 -43.91 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.738 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.17 -38.54 41.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 52' ' ' PHE . 47.8 mt -64.03 -37.25 86.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -39.78 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -71.81 156.72 39.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 160.02 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.941 ' CG ' HD23 ' A' ' 23' ' ' LEU . 2.9 m-20 -53.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -45.87 -57.04 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.01 -49.09 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 23' ' ' LEU . 8.5 tp -54.6 -55.98 23.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.842 ' CD1' HD13 ' A' ' 23' ' ' LEU . 3.3 tp -52.37 -63.74 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.809 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.7 -43.46 37.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 65' ' ' SER . 1.1 mt -50.68 -60.85 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.2 mt -49.56 -47.64 20.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.54 -26.73 67.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 106.25 19.24 10.18 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.809 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -80.19 -85.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.608 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.28 166.65 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -117.25 171.37 8.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 t -132.93 122.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.11 34.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 19.8 mttm -147.52 116.91 6.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.89 -4.52 89.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -10.88 59.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.738 HD22 HG13 ' A' ' 49' ' ' ILE . 2.2 mt -97.09 -24.09 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.21 -49.71 8.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -36.39 2.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 79' ' ' ILE . 27.9 mmt -69.54 -22.35 63.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.1 mt -74.93 -35.94 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -57.98 6.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -53.57 -56.85 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.745 HG23 ' CE2' ' A' ' 30' ' ' PHE . 52.8 mt -55.55 -45.54 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -52.61 -44.3 65.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.86 -59.55 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' HG23 ' A' ' 3' ' ' VAL . 2.6 mtt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.538 0.209 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.86 81.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 2.9 t -137.71 148.91 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.038 ' CE1' HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER 179.18 83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' ASP . 24.3 m-20 -134.26 177.47 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' ASP . 46.3 m-20 -39.74 -47.77 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 7' ' ' ILE . 2.9 mp -55.27 -57.79 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.28 -51.54 14.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -61.17 -61.19 2.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -29.37 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -59.22 -52.72 64.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.736 HD11 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -44.33 -52.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 1.9 ttm180 -70.56 -55.75 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -47.3 -39.79 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -58.74 -49.49 77.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 12' ' ' ILE . 31.2 p -65.99 168.97 7.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -163.5 25.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ARG . 1.3 ptm180 37.79 30.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . -37.3 -42.01 0.81 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.037 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.79 150.72 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.24 -66.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.77 -40.02 12.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.904 HD11 HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -58.82 -53.23 60.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -36.78 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.74 -53.5 50.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 23' ' ' LEU . 5.1 mt -50.33 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' A' ' 23' ' ' LEU . 14.5 m-85 -48.29 -21.47 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.93 -52.46 3.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -86.21 -70.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -36.42 -45.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.618 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -64.52 -50.9 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -52.84 -29.05 25.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.28 -27.66 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -86.7 -70.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.672 ' HA ' HD12 ' A' ' 38' ' ' LEU . 34.6 t80 -46.79 -41.98 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -10.3 32.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -122.55 -8.84 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 35' ' ' PHE . 38.1 mt -60.27 -171.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.2 m -164.2 169.07 18.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 7.8 t0 -48.32 -57.82 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -64.9 -34.97 79.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HB2' ' N ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -65.09 -46.6 80.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.038 HD11 ' CE1' ' A' ' 4' ' ' PHE . 7.8 mt -40.22 -38.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -59.17 4.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' GLU . 21.6 mt-10 -49.71 -61.84 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -44.42 -43.9 8.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.7 t -69.49 -29.56 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -79.8 -37.37 35.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -75.26 -49.0 29.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 49' ' ' ILE . 48.1 mt -49.96 -26.36 4.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.8 mm-40 -36.97 -34.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.7 m-85 -83.35 149.92 26.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -78.6 173.74 12.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -61.21 -49.98 74.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -59.79 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.05 -44.52 96.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.904 HD23 HD11 ' A' ' 23' ' ' LEU . 22.1 tp -51.5 -61.13 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.614 HD13 HD22 ' A' ' 23' ' ' LEU . 4.5 tp -46.27 -61.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.31 -45.43 34.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.859 HD11 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mt -53.54 -44.13 68.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.53 -56.42 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.41 -25.59 50.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.32 30.46 5.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.771 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -81.47 -86.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 0.731 . . . . 0.0 109.623 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -62.44 174.78 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -119.1 168.42 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 72' ' ' LEU . 2.9 t -126.77 120.88 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.06 29.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.99 120.68 17.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -72.96 -1.31 55.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.433 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.5 m80 -88.48 -11.12 46.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.574 HD12 ' OG1' ' A' ' 67' ' ' THR . 0.9 OUTLIER -109.28 -38.1 5.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -41.85 -49.53 10.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -64.57 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.864 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.09 -23.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 20.5 mt -71.35 -42.76 68.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -59.68 -58.77 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -53.46 -62.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 75' ' ' MET . 20.7 mt -49.9 -50.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 61.5 ttt180 -54.26 -35.68 62.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -61.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.543 0.211 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.8 ttm -165.93 62.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.39 151.15 26.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.737 ' CD2' HD13 ' A' ' 43' ' ' LEU . 9.0 p90 -146.99 169.5 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -148.87 -177.55 5.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -43.25 -48.11 6.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mm -50.45 -50.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 4' ' ' PHE . . . -54.22 -49.67 68.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.81 -58.95 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -47.72 -39.48 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 15' ' ' GLN . 8.3 tttt -52.6 -53.48 46.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 16' ' ' THR . 0.4 OUTLIER -40.43 -50.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.4 ttt180 -74.92 -55.31 5.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -48.73 -22.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 11' ' ' LYS . 6.7 mm-40 -80.68 -56.51 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 12' ' ' ILE . 69.8 p -44.87 -67.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.414 ' O ' ' OD2' ' A' ' 54' ' ' ASP . 2.3 mtp180 61.57 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -74.27 56.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -68.09 -26.3 74.11 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 19' ' ' GLY . 1.5 mp -136.02 131.68 35.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . 56.7 tp -37.86 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -37.61 -52.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.06 -57.07 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 16.2 t0 -46.73 -42.54 16.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.1 mt -70.08 -53.72 16.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 23' ' ' LEU . 19.6 mt -43.48 -62.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.913 ' CE2' HD12 ' A' ' 23' ' ' LEU . 36.5 m-85 -46.41 -24.15 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.62 -56.57 22.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -83.99 -29.67 26.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 0.779 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.9 -41.45 97.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.506 ' CA ' ' HB3' ' A' ' 35' ' ' PHE . 25.9 mtm -68.51 -56.0 9.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 36' ' ' GLU . 3.7 tt0 -46.36 -24.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.247 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 -58.78 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -75.21 -75.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -41.8 -23.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 35' ' ' PHE . 3.2 tp10 -33.32 -71.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.99 57.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 46' ' ' PHE . 97.3 mt -56.42 134.94 54.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -72.24 169.53 15.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.57 ' HA ' ' CD1' ' A' ' 4' ' ' PHE . 47.0 t0 -66.83 -53.08 36.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -64.62 -39.51 93.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -64.91 -41.11 95.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.737 HD13 ' CD2' ' A' ' 4' ' ' PHE . 14.4 mt -55.93 -45.58 78.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.6 t -49.98 -45.44 51.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 23.2 mm-40 -58.31 -60.88 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CD2' HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -45.21 -44.59 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -32.03 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.783 ' HB3' HD21 ' A' ' 72' ' ' LEU . 4.8 mm-40 -77.43 -39.26 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.856 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.21 -51.53 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' N ' HG22 ' A' ' 49' ' ' ILE . 7.1 mt -46.89 -25.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' LEU . 2.9 mm-40 -37.25 -38.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.706 ' CD2' HD11 ' A' ' 60' ' ' LEU . 1.6 m-85 -84.33 150.94 25.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -85.76 177.07 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' HB3' ' CG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -50.38 -55.98 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -46.08 -60.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.3 mm-40 -59.02 -51.13 71.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.754 HD23 HD11 ' A' ' 23' ' ' LEU . 58.0 tp -48.76 -61.92 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 23' ' ' LEU . 5.7 tp -47.65 -60.18 2.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.65 -48.4 49.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 65' ' ' SER . 4.0 mt -50.2 -63.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.6 mt -50.12 -48.02 24.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.4 -36.17 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.65 25.16 3.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.859 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -85.8 -77.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.707 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -71.16 160.52 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.58 169.93 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.735 ' OG1' HD12 ' A' ' 72' ' ' LEU . 12.0 t -115.13 123.56 49.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.6 36.44 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.77 126.6 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.72 -6.96 87.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 75' ' ' MET . 39.0 m-70 -82.62 -2.92 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.856 HD22 HG13 ' A' ' 49' ' ' ILE . 13.1 mt -104.45 -33.52 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.1 mt -41.65 -49.04 10.08 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.02 -38.35 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.82 ' O ' HD12 ' A' ' 79' ' ' ILE . 15.4 mmt -68.21 -20.78 64.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 80' ' ' ARG . 7.7 mt -76.51 -47.3 23.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -52.68 -49.06 66.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -66.25 -58.83 4.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 75' ' ' MET . 25.5 mt -56.62 -68.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -38.04 -30.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.02 -60.57 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.52 0.2 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 176.88 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 4' ' ' PHE . 46.1 t -143.04 161.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 40' ' ' ASP . 1.4 p90 -118.54 161.52 19.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' ALA . 8.6 m-20 -142.05 -176.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -43.34 -39.92 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.06 -46.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' HD2' ' A' ' 4' ' ' PHE . . . -60.17 -36.7 78.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -57.53 -59.77 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -44.59 -40.31 5.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -53.5 -48.82 68.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.617 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -41.37 -52.16 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 3.3 mtt180 -76.01 -51.58 12.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -46.18 -25.35 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.46 -45.04 15.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 12' ' ' ILE . 76.8 p -70.08 -174.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 2.3 mtt-85 58.54 154.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 2.9 ttt-85 79.94 82.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 20' ' ' LEU . . . 165.1 -51.3 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.1 HD23 HD22 ' A' ' 58' ' ' LEU . 1.3 mp -144.31 146.94 32.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.28 -71.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -39.79 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.938 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -54.47 -55.91 24.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -46.4 -36.8 6.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.69 -55.26 6.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.6 mt -40.5 -61.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.851 ' CE2' HD12 ' A' ' 23' ' ' LEU . 43.9 m-85 -43.16 -43.4 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' GLU . . . -42.25 -58.04 3.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.4 mtm180 -86.92 -49.52 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.849 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -36.98 -46.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 110.966 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.586 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -77.4 -58.48 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -44.58 -25.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' MET . 1.4 mttm -96.94 -32.82 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 37' ' ' HIS . 63.6 mm-40 -97.59 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -38.25 -31.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' GLU . 1.3 tm-20 -66.48 -44.6 82.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' GLU . 39.9 m170 -87.64 -22.7 24.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.849 HD11 ' CE1' ' A' ' 46' ' ' PHE . 19.5 mt -46.48 172.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -163.78 160.28 22.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . 1.9 t70 -36.9 -60.05 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.1 -53.54 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -56.65 -49.51 74.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 43' ' ' LEU . 4.0 mt -42.84 -46.69 5.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.19 -37.2 3.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' SD ' ' A' ' 75' ' ' MET . 0.7 OUTLIER -74.9 -54.6 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.849 ' CE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -48.1 -41.46 26.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 t -60.93 -23.44 65.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.971 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.56 -46.15 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.836 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -71.06 -46.32 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.449 HD11 ' HD2' ' A' ' 46' ' ' PHE . 77.2 mt -49.76 -31.81 12.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.2 mm-40 -37.49 -34.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.803 ' CE2' HD11 ' A' ' 60' ' ' LEU . 2.2 m-85 -82.59 149.31 27.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.69 170.23 15.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.65 -58.78 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.27 -61.21 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 8.5 mm-40 -53.44 -50.82 64.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 23' ' ' LEU . 45.7 tp -51.29 -60.43 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.1 HD22 HD23 ' A' ' 20' ' ' LEU . 3.8 tp -52.54 -60.58 3.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.995 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -48.06 -44.39 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.803 HD11 ' CE2' ' A' ' 52' ' ' PHE . 1.8 mt -49.79 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.57 HG23 ' HG3' ' A' ' 80' ' ' ARG . 66.9 mt -48.91 -45.7 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -62.81 -34.6 77.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 112.49 23.97 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.995 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -81.57 -83.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.3 t -59.7 175.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -121.01 161.36 21.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.659 ' O ' HG23 ' A' ' 67' ' ' THR . 4.8 t -137.53 98.03 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.94 39.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' HD12 ' A' ' 72' ' ' LEU . 9.2 mttt -131.69 109.49 10.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.79 -13.95 53.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -87.5 1.25 54.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.971 HD21 ' HB3' ' A' ' 48' ' ' GLU . 50.0 mt -115.81 -41.17 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -38.34 -50.24 3.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.3 Cg_endo -75.0 -58.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mmt -48.43 -24.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.741 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.8 mt -74.0 -35.68 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -62.43 -54.8 34.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.97 -54.48 44.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.849 HG23 ' CE1' ' A' ' 30' ' ' PHE . 40.9 mt -56.21 -43.07 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.57 ' HG3' HG23 ' A' ' 61' ' ' ILE . 1.4 tmm_? -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -52.04 -63.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 30' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mtt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.473 0.178 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.36 168.31 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 t -79.32 148.81 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.077 ' CE1' HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -179.49 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' ALA . 13.2 m-20 -132.32 176.18 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.67 -32.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -62.03 -52.46 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -43.93 -35.14 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -54.98 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 HH21 HG13 ' A' ' 7' ' ' ILE . 54.4 mtm180 -54.4 -46.83 73.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -48.63 -49.3 37.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -39.6 -55.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' N ' HG22 ' A' ' 12' ' ' ILE . 9.5 mtp180 -75.94 -51.64 11.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -41.87 -28.13 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -66.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 74.4 p -43.63 -60.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' THR . 1.0 OUTLIER -34.14 126.86 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.46 -159.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.03 20.87 26.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 0.79 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 22' ' ' GLU . 23.1 tp -65.43 -76.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -35.27 -54.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -50.94 -55.84 15.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -36.3 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' GLY . 7.5 mt -75.93 -51.43 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 23' ' ' LEU . 22.1 mt -44.25 -54.07 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.993 ' CE2' HD12 ' A' ' 23' ' ' LEU . 62.2 m-85 -50.78 -28.65 9.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -56.94 -74.08 0.37 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ILE . 2.9 ptm180 -57.2 -23.0 44.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CE1' HG23 ' A' ' 79' ' ' ILE . 1.3 t80 -75.95 -46.37 30.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.511 ' CB ' ' HB3' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -71.67 -41.61 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.43 -27.17 2.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.35 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.76 -49.32 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.59 ' HB3' HD21 ' A' ' 38' ' ' LEU . 63.9 mm-40 -79.8 -77.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' HB3' ' CB ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -39.88 -27.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -36.32 -65.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -141.35 56.12 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 34' ' ' GLU . 38.5 mt -55.73 -165.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -162.38 154.25 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -43.43 -56.3 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -32.06 68.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.4 mm-40 -85.18 -13.23 50.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.077 HD11 ' CE1' ' A' ' 4' ' ' PHE . 12.7 mt -76.14 -51.0 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.2 -61.39 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -49.46 -52.74 27.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.675 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -54.2 -48.92 70.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.37 -40.78 93.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -66.53 -41.14 89.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.757 HG13 HD22 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -75.13 -52.25 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 49' ' ' ILE . 34.9 mt -45.98 -27.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 1.3 mm-40 -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -82.8 152.36 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.68 176.07 8.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 23' ' ' LEU . 8.0 m-20 -62.42 -60.75 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -42.08 -51.94 4.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 11.2 mm-40 -67.85 -41.06 83.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.871 HD23 HD11 ' A' ' 23' ' ' LEU . 40.6 tp -57.61 -61.84 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.814 HD13 HD22 ' A' ' 23' ' ' LEU . 6.9 tp -43.13 -58.72 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.794 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -52.53 -49.82 64.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' GLY . 3.1 mt -51.55 -63.11 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.92 -43.6 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -66.96 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . 110.83 25.95 4.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.549 1.156 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.794 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -84.58 -82.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.547 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 174.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.35 171.88 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.474 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.35 120.31 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.25 0.89 26.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 22.9 mttp -120.26 103.7 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.3 -8.03 48.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' MET . 3.6 m80 -73.76 -5.01 38.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 109.578 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.757 HD22 HG13 ' A' ' 49' ' ' ILE . 2.9 mt -104.84 -20.78 13.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -44.51 -47.4 26.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -75.05 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.551 ' HE3' ' CE ' ' A' ' 78' ' ' LYS . 33.8 mmm -55.7 -22.5 23.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 80' ' ' ARG . 7.9 mt -75.88 -31.74 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.45 -56.79 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.551 ' CE ' ' HE3' ' A' ' 75' ' ' MET . 0.0 OUTLIER -55.41 -49.52 72.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.74 HG23 ' CE1' ' A' ' 30' ' ' PHE . 79.2 mt -63.47 -67.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 24.6 ttp180 -37.71 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -56.38 -65.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.23 64.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 4' ' ' PHE . 60.7 t -97.75 162.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.9 ' CE1' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -153.33 129.96 10.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -161.58 177.47 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.13 -44.43 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.9 mp -55.22 -52.16 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -43.07 -40.02 2.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -60.7 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -44.52 -44.98 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -49.46 -41.39 40.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -49.68 -52.89 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.58 -50.86 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.24 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.61 -25.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -84.65 -53.6 5.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.439 ' HB ' ' CD2' ' A' ' 27' ' ' PHE . 33.3 p -57.2 -163.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.0 150.63 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? 71.94 -179.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 48.86 97.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' HA ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER 66.01 110.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -57.85 -44.95 86.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -56.64 -43.48 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.978 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -58.71 -33.71 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -68.45 -39.82 81.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.542 HD23 ' N ' ' A' ' 25' ' ' LEU . 3.2 mt -68.8 -49.52 57.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.978 HD12 ' HA ' ' A' ' 23' ' ' LEU . 39.8 mt -40.58 -52.2 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' CD2' ' HB ' ' A' ' 16' ' ' THR . 18.1 m-85 -53.28 -40.9 65.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -41.96 -50.77 5.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.49 -51.66 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.82 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -42.82 -33.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.416 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 2.2 mtt -83.97 -53.8 5.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -44.93 -27.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HD2' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.92 -54.23 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.611 ' HB3' HD21 ' A' ' 38' ' ' LEU . 23.9 mt-10 -75.76 -75.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' C ' ' A' ' 36' ' ' GLU . 1.2 t80 -40.95 -24.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLU . 12.3 tt0 -34.22 -55.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 0.3 OUTLIER -153.53 53.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.913 HD11 ' CE2' ' A' ' 46' ' ' PHE . 53.8 mt -58.61 142.68 48.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.65 167.05 22.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.7 t0 -64.29 -58.03 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -59.04 -38.71 79.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' NZ ' ' A' ' 78' ' ' LYS . 1.1 tp10 -61.93 -44.9 95.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.9 HD13 ' CE1' ' A' ' 4' ' ' PHE . 9.1 mt -45.88 -46.73 16.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 -58.26 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -48.93 -57.79 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.913 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.46 -56.46 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 t -61.43 -24.96 66.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 2.1 tp10 -78.84 -43.34 25.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.785 HG13 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -75.86 -46.26 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 12' ' ' ILE . 76.9 mt -52.19 -31.38 31.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LEU . 1.6 mt-10 -35.21 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LEU . 10.1 m-85 -85.87 147.88 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.45 160.79 30.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.802 ' HB3' HD23 ' A' ' 23' ' ' LEU . 5.0 m-20 -51.52 -46.33 63.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.819 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.8 tm0? -45.26 -59.97 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.2 mm-40 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.77 -61.29 2.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HD22 ' A' ' 23' ' ' LEU . 5.2 tp -50.55 -60.3 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.816 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -50.28 -45.4 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -49.89 -60.59 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mt -53.2 -43.23 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.99 -22.04 66.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.14 31.25 6.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.816 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -90.95 -89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.59 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.2 m -60.58 171.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -117.85 172.38 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.759 ' OG1' HD12 ' A' ' 72' ' ' LEU . 13.6 t -120.4 120.56 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -76.05 -0.88 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.5 mptt -128.89 114.68 16.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 -5.06 45.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -83.19 3.75 29.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 49' ' ' ILE . 10.7 mt -108.54 -39.12 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.544 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -41.13 -50.46 8.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -54.64 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.552 1.817 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.6 -22.64 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.594 ' HG ' HD11 ' A' ' 49' ' ' ILE . 7.5 mt -75.27 -35.12 61.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -62.55 -55.59 25.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -58.17 -36.6 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 75' ' ' MET . 63.1 mt -71.32 -56.02 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -39.16 -50.66 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -51.52 60.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 33' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.492 0.187 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.39 167.55 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 4' ' ' PHE . 21.4 t -76.48 162.69 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.006 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -75.01 139.57 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.866 ' H ' ' HB3' ' A' ' 8' ' ' ALA . 69.1 m-20 -165.95 -177.33 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -47.55 -34.65 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 mt -74.95 -60.16 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' HB3' ' H ' ' A' ' 5' ' ' ASP . . . -48.5 -34.24 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -61.21 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.23 -26.19 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 15' ' ' GLN . 2.4 mmtp -74.91 -40.5 60.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.844 HD11 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -42.67 -50.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 10.8 mtt180 -75.58 -45.45 37.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -59.53 -16.87 27.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -85.53 -58.88 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.588 ' HB ' ' CE2' ' A' ' 27' ' ' PHE . 65.4 p -44.44 -56.5 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 132.67 20.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' CB ' ' CG ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -165.3 -152.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.753 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -88.06 44.32 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' A' ' 54' ' ' ASP . 5.7 mp -140.66 107.1 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.54 -69.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -56.22 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.97 ' HA ' HD12 ' A' ' 26' ' ' ILE . 6.5 tp -50.04 -40.61 45.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -36.32 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -75.41 -50.46 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.97 HD12 ' HA ' ' A' ' 23' ' ' LEU . 34.5 mt -40.36 -61.27 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 46.5 m-85 -43.66 -45.05 6.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.3 -51.35 5.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 33' ' ' LYS . 6.5 mmt180 -85.59 -52.98 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE1' HG23 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -46.29 -49.4 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' PHE . 95.7 mtp -60.69 -50.91 71.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.22 -23.28 67.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.46 -12.21 26.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 37' ' ' HIS . 18.7 mm-40 -128.59 -75.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 38' ' ' LEU . 38.7 t80 -40.67 -34.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -38.91 90.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.534 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -92.12 -15.35 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 35' ' ' PHE . 17.4 mt -54.43 -169.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.539 ' O ' HD23 ' A' ' 43' ' ' LEU . 15.2 m -164.25 177.28 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.608 ' HA ' ' CD2' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -51.71 -62.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -65.39 -20.75 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 3.9 mt-10 -85.07 -12.51 52.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.006 HD12 ' CD1' ' A' ' 4' ' ' PHE . 2.3 mt -71.99 -38.24 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 m -53.43 -59.31 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 7.4 pt-20 -47.7 -43.72 26.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.997 ' CE1' HD11 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -60.96 -57.87 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -26.14 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -74.38 -41.12 61.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.633 HD11 ' HG ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.63 -41.16 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD11 ' CE1' ' A' ' 46' ' ' PHE . 69.2 mt -64.37 -14.83 58.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . 3.4 mm-40 -36.39 -35.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.627 ' CD2' HD12 ' A' ' 60' ' ' LEU . 10.8 m-85 -78.81 145.81 34.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 57' ' ' LEU . 1.6 mp0 -65.99 175.19 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.813 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.1 m-20 -64.25 -48.66 74.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -51.91 67.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.69 -52.2 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD23 HD21 ' A' ' 23' ' ' LEU . 14.9 tp -45.19 -61.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.646 ' CD1' HD13 ' A' ' 23' ' ' LEU . 5.8 tp -42.78 -57.21 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.937 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -49.6 -49.47 46.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 52' ' ' PHE . 4.0 mt -49.32 -63.65 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -47.71 -44.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -65.92 -29.89 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 109.66 29.06 4.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.937 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -90.85 -85.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.621 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -54.89 165.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 162.82 14.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 67' ' ' THR . 3.6 t -137.8 98.31 3.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.59 36.71 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' HB2' HD12 ' A' ' 72' ' ' LEU . 33.3 mmtt -128.18 105.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' CD ' ' A' ' 74' ' ' PRO . . . -60.89 -13.11 31.87 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.427 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -85.57 1.81 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.566 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD22 HG13 ' A' ' 49' ' ' ILE . 10.8 mt -123.6 -40.47 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -39.88 -50.18 5.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.2 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.63 ' HB3' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.37 -22.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.633 ' HG ' HD11 ' A' ' 49' ' ' ILE . 12.0 mt -71.56 -47.72 53.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.458 ' OE1' ' NH1' ' A' ' 80' ' ' ARG . 2.3 mm-40 -55.35 -56.7 17.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' CG ' ' HA ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -56.15 -64.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.68 HG23 ' CE1' ' A' ' 30' ' ' PHE . 62.5 mt -48.15 -51.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 76' ' ' LEU . 2.0 ttt-85 -47.89 -48.05 31.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -57.58 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.509 0.195 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttp -97.76 75.68 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.83 154.16 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.683 ' CD2' HD12 ' A' ' 43' ' ' LEU . 3.5 t80 -155.05 124.88 6.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -172.59 167.05 5.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.21 -27.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 5' ' ' ASP . 42.5 mm -72.76 -49.7 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 5' ' ' ASP . . . -45.5 -34.84 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -66.31 -61.22 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -61.55 -23.56 66.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' GLN . 9.8 tptt -75.15 -57.27 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CD1' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -44.89 -48.06 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 5.7 ttp180 -61.58 -57.13 13.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -65.37 -9.5 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -74.35 -18.28 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.732 HG22 HD22 ' A' ' 50' ' ' LEU . 82.4 p -85.33 -44.5 12.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -37.92 141.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.24 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 8.1 ttt180 83.98 140.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 -63.51 0.56 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 20' ' ' LEU . 3.0 mt -151.57 137.94 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.1 tp -53.37 -71.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.57 -44.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.972 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -53.36 -54.93 29.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.85 -37.33 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 25' ' ' LEU . 2.8 mt -74.54 -50.78 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 23' ' ' LEU . 18.7 mt -45.0 -49.97 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.952 ' CE2' HD12 ' A' ' 23' ' ' LEU . 57.5 m-85 -56.92 -41.4 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' MET . . . -41.69 -42.84 3.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 -51.43 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.711 ' CZ ' ' CZ ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -47.79 -40.42 20.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.615 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -66.22 -40.98 90.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' ' SD ' ' A' ' 31' ' ' MET . 1.2 tt0 -59.85 -24.8 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -96.55 -54.0 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 72.6 mm-40 -75.43 -77.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -44.31 -21.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.1 tt0 -34.68 -67.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -142.4 56.53 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.571 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 46' ' ' PHE . 42.8 mt -55.03 -167.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -161.76 157.53 24.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' SER . 6.4 t0 -39.42 -63.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.32 -48.08 9.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -55.72 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 4' ' ' PHE . 6.9 mt -41.81 -51.18 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -59.7 2.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mp0 -68.12 -57.21 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.812 ' CE2' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -41.84 -47.65 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.515 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -63.37 -36.5 83.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.535 ' CB ' HD21 ' A' ' 72' ' ' LEU . 34.4 mm-40 -64.49 -43.61 93.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.8 HG13 HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -75.57 -43.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD22 HG22 ' A' ' 16' ' ' THR . 70.6 mt -60.89 -35.59 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 47' ' ' SER . 1.2 mm-40 -38.63 -33.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' LEU . 1.4 m-85 -78.28 152.57 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -78.81 164.96 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.537 ' HB3' HD23 ' A' ' 23' ' ' LEU . 3.9 m-20 -54.51 -57.57 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -43.27 -55.06 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.12 -40.54 94.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.777 HD23 HD11 ' A' ' 23' ' ' LEU . 47.4 tp -56.7 -61.7 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.632 HD13 HD22 ' A' ' 23' ' ' LEU . 8.1 tp -47.83 -57.04 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.877 ' HB1' ' CB ' ' A' ' 64' ' ' HIS . . . -51.14 -46.87 62.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.49 -60.05 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -55.04 -45.89 77.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -59.93 -29.95 68.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . 107.57 27.86 5.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.877 ' CB ' ' HB1' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -88.42 -87.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 0.735 . . . . 0.0 109.595 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 66' ' ' GLU . 2.7 t -59.12 174.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.8 mp0 -121.78 171.19 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.637 ' OG1' HD12 ' A' ' 72' ' ' LEU . 1.5 t -119.86 120.73 37.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' C ' ' HG2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -90.86 20.71 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 68' ' ' ASP . 23.7 mmtt -140.15 118.18 11.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.99 -9.3 66.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -79.09 -3.22 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.8 HD22 HG13 ' A' ' 49' ' ' ILE . 19.1 mt -105.17 -37.88 6.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -35.68 -51.48 1.47 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 73' ' ' ILE . 18.4 Cg_endo -74.98 -58.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -47.5 -28.46 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 49' ' ' ILE . 6.0 mt -67.98 -42.33 80.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 mm-40 -58.63 -54.41 47.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' CD ' HG13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -65.47 -50.59 64.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' ' O ' ' A' ' 75' ' ' MET . 60.5 mt -58.71 -68.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -44.83 -29.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -46.99 -57.0 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 stop_ save_